CID 12024987

(4-bromophenyl)methanesulfonamide

Structural Information

Molecular Formula
C7H8BrNO2S
SMILES
C1=CC(=CC=C1CS(=O)(=O)N)Br
InChI
InChI=1S/C7H8BrNO2S/c8-7-3-1-6(2-4-7)5-12(9,10)11/h1-4H,5H2,(H2,9,10,11)
InChIKey
UMWAULCQIJRMLH-UHFFFAOYSA-N
Compound name
(4-bromophenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

248.9459 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.95318 135.1
[M+Na]+ 271.93512 147.6
[M-H]- 247.93862 141.5
[M+NH4]+ 266.97972 156.2
[M+K]+ 287.90906 135.3
[M+H-H2O]+ 231.94316 135.3
[M+HCOO]- 293.94410 152.4
[M+CH3COO]- 307.95975 187.4
[M+Na-2H]- 269.92057 142.1
[M]+ 248.94535 154.5
[M]- 248.94645 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