PubChemLite - Dtxsid20897095 (C16F30N9P)

Structural Information

Molecular Formula

SMILES

C1(=NC(=NP(=N1)(N=[N+]=[N-])N=[N+]=[N-])C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C16F30N9P/c17-3(18,5(21,22)7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)43)1-49-2(51-56(50-1,54-52-47)55-53-48)4(19,20)6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(44,45)46

InChIKey

OXYTULQNNXZBJK-UHFFFAOYSA-N

Compound name

2,2-diazido-4,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	919.96083	268.5
[M+Na]+	941.94277	276.9
[M-H]-	917.94627	288.2
[M+NH4]+	936.98737	283.4
[M+K]+	957.91671	287.0
[M+H-H2O]+	901.95081	244.1
[M+HCOO]-	963.95175	287.4
[M+CH3COO]-	977.96740	280.3
[M+Na-2H]-	939.92822	267.1
[M]+	918.95300	255.1
[M]-	918.95410	255.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

919.96083

268.5

[M+Na]+

941.94277

276.9

[M-H]-

917.94627

288.2

[M+NH4]+

936.98737

283.4

[M+K]+

957.91671

287.0

[M+H-H2O]+

901.95081

244.1

[M+HCOO]-

963.95175

287.4

[M+CH3COO]-

977.96740

280.3

[M+Na-2H]-

939.92822

267.1

[M]+

918.95300

255.1

[M]-

918.95410

255.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Dtxsid20897095

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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