CID 19358760

1,1,1-trifluoro-n-(2-hydroxyethyl)methanesulfonamide

Structural Information

Molecular Formula
C3H6F3NO3S
SMILES
C(CO)NS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C3H6F3NO3S/c4-3(5,6)11(9,10)7-1-2-8/h7-8H,1-2H2
InChIKey
ALZPKDUBPSBRMK-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-N-(2-hydroxyethyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

368
Patents

193.00204 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.00932 130.8
[M+Na]+ 215.99126 138.9
[M-H]- 191.99476 126.1
[M+NH4]+ 211.03586 149.5
[M+K]+ 231.96520 136.8
[M+H-H2O]+ 175.99930 123.9
[M+HCOO]- 238.00024 144.3
[M+CH3COO]- 252.01589 176.8
[M+Na-2H]- 213.97671 135.7
[M]+ 193.00149 128.2
[M]- 193.00259 128.2
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

patents stripe