CID 65743045

2-hydroxy-n-(2,2,2-trifluoroethyl)ethane-1-sulfonamide

Structural Information

Molecular Formula
C4H8F3NO3S
SMILES
C(CS(=O)(=O)NCC(F)(F)F)O
InChI
InChI=1S/C4H8F3NO3S/c5-4(6,7)3-8-12(10,11)2-1-9/h8-9H,1-3H2
InChIKey
DOCOMCSKUBSUJC-UHFFFAOYSA-N
Compound name
2-hydroxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.0177 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.02498 135.3
[M+Na]+ 230.00692 142.9
[M-H]- 206.01042 130.4
[M+NH4]+ 225.05152 153.4
[M+K]+ 245.98086 140.6
[M+H-H2O]+ 190.01496 128.2
[M+HCOO]- 252.01590 148.5
[M+CH3COO]- 266.03155 179.8
[M+Na-2H]- 227.99237 139.7
[M]+ 207.01715 133.1
[M]- 207.01825 133.1
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.