CID 106192

67939-89-3

Structural Information

Molecular Formula
C8H11F9NO6PS
SMILES
CCN(CCOP(=O)(O)O)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H11F9NO6PS/c1-2-18(3-4-24-25(19,20)21)26(22,23)8(16,17)6(11,12)5(9,10)7(13,14)15/h2-4H2,1H3,(H2,19,20,21)
InChIKey
QYPFYWKDTABJCJ-UHFFFAOYSA-N
Compound name
2-[ethyl(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

450.9901 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.99738 168.4
[M+Na]+ 473.97932 172.4
[M-H]- 449.98282 174.8
[M+NH4]+ 469.02392 176.5
[M+K]+ 489.95326 173.1
[M+H-H2O]+ 433.98736 153.0
[M+HCOO]- 495.98830 186.4
[M+CH3COO]- 510.00395 223.5
[M+Na-2H]- 471.96477 161.6
[M]+ 450.98955 167.0
[M]- 450.99065 167.0
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.