CID 669156

N-(4-bromo-2-methylphenyl)methanesulfonamide

Structural Information

Molecular Formula
C8H10BrNO2S
SMILES
CC1=C(C=CC(=C1)Br)NS(=O)(=O)C
InChI
InChI=1S/C8H10BrNO2S/c1-6-5-7(9)3-4-8(6)10-13(2,11)12/h3-5,10H,1-2H3
InChIKey
UFZNYCBPKRPFAD-UHFFFAOYSA-N
Compound name
N-(4-bromo-2-methylphenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

262.96155 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.968826 138.1
[M+Na]+ 285.950768 151.0
[M-H]- 261.954274 145.2
[M+NH4]+ 280.995373 159.2
[M+K]+ 301.924708 138.8
[M+H-H2O]+ 245.958810 138.2
[M+HCOO]- 307.959751 155.6
[M+CH3COO]- 321.975401 191.9
[M+Na-2H]- 283.936216 145.0
[M]+ 262.96100142 159.1
[M]- 262.96209858 159.1
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