PubChemLite - 67923-61-9 (C11H11F15NO6PS)

Structural Information

Molecular Formula

SMILES

CCN(CCOP(=O)(O)O)S(=O)(=O)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/C11H11F15NO6PS/c1-2-27(3-4-33-34(28,29)30)35(31,32)11(25,26)9(20,21)7(16,17)5(12,13)6(14,15)8(18,19)10(22,23)24/h2-4H2,1H3,(H2,28,29,30)

InChIKey

FANHPMCIAHYLOD-UHFFFAOYSA-N

Compound name

2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]ethyl 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]+	601.98778	189.1
[M+Na]+	623.96972	191.4
[M-H]-	599.97322	200.1
[M+NH4]+	619.01432	200.6
[M+K]+	639.94366	199.0
[M+H-H2O]+	583.97776	170.2
[M+HCOO]-	645.97870	206.0
[M+CH3COO]-	659.99435	247.7
[M+Na-2H]-	621.95517	183.0
[M]+	600.97995	188.4
[M]-	600.98105	188.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

601.98778

189.1

[M+Na]+

623.96972

191.4

[M-H]-

599.97322

200.1

[M+NH4]+

619.01432

200.6

[M+K]+

639.94366

199.0

[M+H-H2O]+

583.97776

170.2

[M+HCOO]-

645.97870

206.0

[M+CH3COO]-

659.99435

247.7

[M+Na-2H]-

621.95517

183.0

[M]+

600.97995

188.4

[M]-

600.98105

188.4

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

67923-61-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe