CID 81174640

2460755-48-8

Structural Information

Molecular Formula
C3H7F2NO2S
SMILES
C(CS(=O)(=O)C(F)F)N
InChI
InChI=1S/C3H7F2NO2S/c4-3(5)9(7,8)2-1-6/h3H,1-2,6H2
InChIKey
GSUKDZKXYHQSFJ-UHFFFAOYSA-N
Compound name
2-(difluoromethylsulfonyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.01656 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.02384 125.3
[M+Na]+ 182.00578 133.3
[M-H]- 158.00928 122.8
[M+NH4]+ 177.05038 145.8
[M+K]+ 197.97972 131.7
[M+H-H2O]+ 142.01382 118.9
[M+HCOO]- 204.01476 140.9
[M+CH3COO]- 218.03041 174.9
[M+Na-2H]- 179.99123 127.9
[M]+ 159.01601 123.4
[M]- 159.01711 123.4
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.