CID 44150314

147545-41-3

Structural Information

Molecular Formula
C7H9F9NO6PS
SMILES
CN(CCOP(=O)(O)O)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H9F9NO6PS/c1-17(2-3-23-24(18,19)20)25(21,22)7(15,16)5(10,11)4(8,9)6(12,13)14/h2-3H2,1H3,(H2,18,19,20)
InChIKey
PWEZPHZIDUAWJD-UHFFFAOYSA-N
Compound name
2-[methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]ethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

436.97446 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.98174 164.4
[M+Na]+ 459.96368 168.7
[M-H]- 435.96718 171.2
[M+NH4]+ 455.00828 172.6
[M+K]+ 475.93762 169.0
[M+H-H2O]+ 419.97172 149.2
[M+HCOO]- 481.97266 182.9
[M+CH3COO]- 495.98831 220.8
[M+Na-2H]- 457.94913 158.2
[M]+ 436.97391 163.2
[M]- 436.97501 163.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.