PubChemLite - 67939-91-7 (C16H19F18N2O8PS2)

Structural Information

Molecular Formula

SMILES

CCN(CCOP(=O)(O)OCCN(CC)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C16H19F18N2O8PS2/c1-3-35(46(39,40)15(31,32)11(21,22)9(17,18)13(25,26)27)5-7-43-45(37,38)44-8-6-36(4-2)47(41,42)16(33,34)12(23,24)10(19,20)14(28,29)30/h3-8H2,1-2H3,(H,37,38)

InChIKey

UNHYIZUGCWLZHI-UHFFFAOYSA-N

Compound name

bis[2-[ethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]ethyl] hydrogen phosphate

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]+	805.01058	230.1
[M+Na]+	826.99252	231.9
[M-H]-	802.99602	245.1
[M+NH4]+	822.03712	247.4
[M+K]+	842.96646	243.6
[M+H-H2O]+	787.00056	211.3
[M+HCOO]-	849.00150	243.4
[M+CH3COO]-	863.01715	275.9
[M+Na-2H]-	824.97797	223.5
[M]+	804.00275	233.5
[M]-	804.00385	233.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

805.01058

230.1

[M+Na]+

826.99252

231.9

[M-H]-

802.99602

245.1

[M+NH4]+

822.03712

247.4

[M+K]+

842.96646

243.6

[M+H-H2O]+

787.00056

211.3

[M+HCOO]-

849.00150

243.4

[M+CH3COO]-

863.01715

275.9

[M+Na-2H]-

824.97797

223.5

[M]+

804.00275

233.5

[M]-

804.00385

233.5

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

67939-91-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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