CID 12268467

Bromomethanesulfonamide

Structural Information

Molecular Formula
CH4BrNO2S
SMILES
C(S(=O)(=O)N)Br
InChI
InChI=1S/CH4BrNO2S/c2-1-6(3,4)5/h1H2,(H2,3,4,5)
InChIKey
WKNONNGLPOBGEZ-UHFFFAOYSA-N
Compound name
bromomethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
Patents

172.91461 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.92189 115.9
[M+Na]+ 195.90383 128.7
[M-H]- 171.90733 119.4
[M+NH4]+ 190.94843 139.6
[M+K]+ 211.87777 117.7
[M+H-H2O]+ 155.91187 116.7
[M+HCOO]- 217.91281 133.2
[M+CH3COO]- 231.92846 173.7
[M+Na-2H]- 193.88928 123.6
[M]+ 172.91406 134.7
[M]- 172.91516 134.7
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