PubChemLite - Ns00007501 (C18H6F34NO4P)

Structural Information

Molecular Formula

SMILES

C(CO)NP(=O)(OC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C18H6F34NO4P/c19-3(20,7(27,28)11(35,36)15(43,44)45)5(23,24)9(31,32)13(39,40)17(49,50)56-58(55,53-1-2-54)57-18(51,52)14(41,42)10(33,34)6(25,26)4(21,22)8(29,30)12(37,38)16(46,47)48/h54H,1-2H2,(H,53,55)

InChIKey

YJKRMSUXBRRLCZ-UHFFFAOYSA-N

Compound name

2-[bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)phosphorylamino]ethanol

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]+	977.95644	240.9
[M+Na]+	999.93838	241.4
[M-H]-	975.94188	255.4
[M+NH4]+	994.98298	252.7
[M+K]+	1015.9123	256.4
[M+H-H2O]+	959.94642	223.6
[M+HCOO]-	1021.9474	253.7
[M+CH3COO]-	1035.9630	279.1
[M+Na-2H]-	997.92383	241.2
[M]+	976.94861	236.4
[M]-	976.94971	236.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

977.95644

240.9

[M+Na]+

999.93838

241.4

[M-H]-

975.94188

255.4

[M+NH4]+

994.98298

252.7

[M+K]+

1015.9123

256.4

[M+H-H2O]+

959.94642

223.6

[M+HCOO]-

1021.9474

253.7

[M+CH3COO]-

1035.9630

279.1

[M+Na-2H]-

997.92383

241.2

[M]+

976.94861

236.4

[M]-

976.94971

236.4

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

Ns00007501

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe