CID 20520906

2-bromoethane-1-sulfonamide

Structural Information

Molecular Formula
C2H6BrNO2S
SMILES
C(CBr)S(=O)(=O)N
InChI
InChI=1S/C2H6BrNO2S/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)
InChIKey
LHDCDABNXQYBJW-UHFFFAOYSA-N
Compound name
2-bromoethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

186.93027 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.937546 120.4
[M+Na]+ 209.919488 132.8
[M-H]- 185.922994 123.6
[M+NH4]+ 204.964093 143.6
[M+K]+ 225.893428 121.5
[M+H-H2O]+ 169.927530 121.0
[M+HCOO]- 231.928471 137.3
[M+CH3COO]- 245.944121 176.6
[M+Na-2H]- 207.904936 127.5
[M]+ 186.92972142 139.5
[M]- 186.93081858 139.5
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