CID 793270

1024-38-0

Structural Information

Molecular Formula
C13H12BrNO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2Br
InChI
InChI=1S/C13H12BrNO2S/c1-10-6-8-11(9-7-10)18(16,17)15-13-5-3-2-4-12(13)14/h2-9,15H,1H3
InChIKey
NAEOKZYYHWFPCK-UHFFFAOYSA-N
Compound name
N-(2-bromophenyl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

324.9772 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.98448 150.4
[M+Na]+ 347.96642 154.6
[M+NH4]+ 343.01102 155.4
[M+K]+ 363.94036 153.0
[M-H]- 323.96992 153.1
[M+Na-2H]- 345.95187 156.7
[M]+ 324.97665 151.1
[M]- 324.97775 151.1
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