CID 12576037

34454-99-4

Structural Information

Molecular Formula
C6H6F9NO3S
SMILES
C(CO)NS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H6F9NO3S/c7-3(8,5(11,12)13)4(9,10)6(14,15)20(18,19)16-1-2-17/h16-17H,1-2H2
InChIKey
ASJXVGSUYQIIBC-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)butane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

106
Patents

342.99246 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.99974 157.7
[M+Na]+ 365.98168 165.2
[M-H]- 341.98518 145.6
[M+NH4]+ 361.02628 169.4
[M+K]+ 381.95562 161.9
[M+H-H2O]+ 325.98972 146.2
[M+HCOO]- 387.99066 159.5
[M+CH3COO]- 402.00631 205.1
[M+Na-2H]- 363.96713 161.7
[M]+ 342.99191 145.9
[M]- 342.99301 145.9
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

patents stripe