CID 106193

67939-90-6

Structural Information

Molecular Formula
C9H11F11NO6PS
SMILES
CCN(CCOP(=O)(O)O)S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H11F11NO6PS/c1-2-21(3-4-27-28(22,23)24)29(25,26)9(19,20)7(14,15)5(10,11)6(12,13)8(16,17)18/h2-4H2,1H3,(H2,22,23,24)
InChIKey
PSNGOBTXZSFMLP-UHFFFAOYSA-N
Compound name
2-[ethyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]ethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

500.9869 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.99418 174.5
[M+Na]+ 523.97612 178.0
[M-H]- 499.97962 182.6
[M+NH4]+ 519.02072 183.9
[M+K]+ 539.95006 181.1
[M+H-H2O]+ 483.98416 157.8
[M+HCOO]- 545.98510 192.3
[M+CH3COO]- 560.00075 232.1
[M+Na-2H]- 521.96157 167.9
[M]+ 500.98635 173.3
[M]- 500.98745 173.3
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.