CID 3629878

N-(2-bromophenyl)methanesulfonamide

Structural Information

Molecular Formula
C7H8BrNO2S
SMILES
CS(=O)(=O)NC1=CC=CC=C1Br
InChI
InChI=1S/C7H8BrNO2S/c1-12(10,11)9-7-5-3-2-4-6(7)8/h2-5,9H,1H3
InChIKey
HRLPDILAYHUIIF-UHFFFAOYSA-N
Compound name
N-(2-bromophenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

248.9459 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.953176 134.3
[M+Na]+ 271.935118 146.8
[M-H]- 247.938624 141.2
[M+NH4]+ 266.979723 155.6
[M+K]+ 287.909058 134.9
[M+H-H2O]+ 231.943160 134.5
[M+HCOO]- 293.944101 152.2
[M+CH3COO]- 307.959751 188.0
[M+Na-2H]- 269.920566 142.3
[M]+ 248.94535142 154.6
[M]- 248.94644858 154.6
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