CID 706841

N-(4-bromophenyl)methanesulfonamide

Structural Information

Molecular Formula
C7H8BrNO2S
SMILES
CS(=O)(=O)NC1=CC=C(C=C1)Br
InChI
InChI=1S/C7H8BrNO2S/c1-12(10,11)9-7-4-2-6(8)3-5-7/h2-5,9H,1H3
InChIKey
KKOIRAFXKFYZHQ-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

166
Patents

248.9459 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.95318 132.4
[M+Na]+ 271.93512 134.8
[M+NH4]+ 266.97972 137.2
[M+K]+ 287.90906 134.6
[M-H]- 247.93862 132.7
[M+Na-2H]- 269.92057 136.5
[M]+ 248.94535 132.0
[M]- 248.94645 132.0
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