CID 21265546

2,2,2-trifluoroethane-1-sulfonamide

Structural Information

Molecular Formula
C2H4F3NO2S
SMILES
C(C(F)(F)F)S(=O)(=O)N
InChI
InChI=1S/C2H4F3NO2S/c3-2(4,5)1-9(6,7)8/h1H2,(H2,6,7,8)
InChIKey
JATIGRDCWBXQRA-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

673
Patents

162.99149 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.998766 123.3
[M+Na]+ 185.980708 132.4
[M-H]- 161.984214 119.8
[M+NH4]+ 181.025313 143.7
[M+K]+ 201.954648 130.7
[M+H-H2O]+ 145.988750 116.6
[M+HCOO]- 207.989691 137.7
[M+CH3COO]- 222.005341 173.6
[M+Na-2H]- 183.966156 127.8
[M]+ 162.99094142 119.8
[M]- 162.99203858 119.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe