CID 21938548

4-bromo-2,3-dimethylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C8H10BrNO2S
SMILES
CC1=C(C=CC(=C1C)Br)S(=O)(=O)N
InChI
InChI=1S/C8H10BrNO2S/c1-5-6(2)8(13(10,11)12)4-3-7(5)9/h3-4H,1-2H3,(H2,10,11,12)
InChIKey
BCJRHJJIVUFJBQ-UHFFFAOYSA-N
Compound name
4-bromo-2,3-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

262.96155 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.968826 138.4
[M+Na]+ 285.950768 151.9
[M-H]- 261.954274 145.2
[M+NH4]+ 280.995373 159.4
[M+K]+ 301.924708 139.4
[M+H-H2O]+ 245.958810 138.5
[M+HCOO]- 307.959751 155.1
[M+CH3COO]- 321.975401 192.4
[M+Na-2H]- 283.936216 143.6
[M]+ 262.96100142 158.7
[M]- 262.96209858 158.7
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