CID 112639887

(3-bromo-2-methylphenyl)methanesulfonamide

Structural Information

Molecular Formula
C8H10BrNO2S
SMILES
CC1=C(C=CC=C1Br)CS(=O)(=O)N
InChI
InChI=1S/C8H10BrNO2S/c1-6-7(5-13(10,11)12)3-2-4-8(6)9/h2-4H,5H2,1H3,(H2,10,11,12)
InChIKey
IPHXEWVPSWZHJN-UHFFFAOYSA-N
Compound name
(3-bromo-2-methylphenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.96155 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.968826 139.0
[M+Na]+ 285.950768 151.9
[M-H]- 261.954274 145.6
[M+NH4]+ 280.995373 159.8
[M+K]+ 301.924708 139.3
[M+H-H2O]+ 245.958810 139.1
[M+HCOO]- 307.959751 155.9
[M+CH3COO]- 321.975401 191.3
[M+Na-2H]- 283.936216 144.9
[M]+ 262.96100142 159.0
[M]- 262.96209858 159.0
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

No patent data available for this compound.