PubChemLite - 78974-42-2 (C11H6F19O4P)

Structural Information

Molecular Formula

SMILES

C(COP(=O)(O)O)C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C11H6F19O4P/c12-3(13,1-2-34-35(31,32)33)5(15,16)7(19,20)9(23,24)8(21,22)6(17,18)4(14,10(25,26)27)11(28,29)30/h1-2H2,(H2,31,32,33)

InChIKey

DEHQJCVMUMYUMH-UHFFFAOYSA-N

Compound name

[3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decyl] dihydrogen 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]+	594.97731	182.1
[M+Na]+	616.95925	183.9
[M-H]-	592.96275	191.8
[M+NH4]+	612.00385	191.3
[M+K]+	632.93319	193.4
[M+H-H2O]+	576.96729	162.7
[M+HCOO]-	638.96823	200.9
[M+CH3COO]-	652.98388	245.6
[M+Na-2H]-	614.94470	178.0
[M]+	593.96948	179.1
[M]-	593.97058	179.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

594.97731

182.1

[M+Na]+

616.95925

183.9

[M-H]-

592.96275

191.8

[M+NH4]+

612.00385

191.3

[M+K]+

632.93319

193.4

[M+H-H2O]+

576.96729

162.7

[M+HCOO]-

638.96823

200.9

[M+CH3COO]-

652.98388

245.6

[M+Na-2H]-

614.94470

178.0

[M]+

593.96948

179.1

[M]-

593.97058

179.1

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

78974-42-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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