CID 50998650

(3-bromophenyl)methanesulfonamide

Structural Information

Molecular Formula
C7H8BrNO2S
SMILES
C1=CC(=CC(=C1)Br)CS(=O)(=O)N
InChI
InChI=1S/C7H8BrNO2S/c8-7-3-1-2-6(4-7)5-12(9,10)11/h1-4H,5H2,(H2,9,10,11)
InChIKey
NZPHFPJATRGGMD-UHFFFAOYSA-N
Compound name
(3-bromophenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

248.9459 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.953176 135.1
[M+Na]+ 271.935118 147.6
[M-H]- 247.938624 141.5
[M+NH4]+ 266.979723 156.2
[M+K]+ 287.909058 135.3
[M+H-H2O]+ 231.943160 135.3
[M+HCOO]- 293.944101 152.4
[M+CH3COO]- 307.959751 187.4
[M+Na-2H]- 269.920566 142.1
[M]+ 248.94535142 154.5
[M]- 248.94644858 154.5
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

patents stripe