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

7
Patents

262.96155 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.96883 138.4
[M+Na]+ 285.95077 151.9
[M-H]- 261.95427 145.2
[M+NH4]+ 280.99537 159.4
[M+K]+ 301.92471 139.4
[M+H-H2O]+ 245.95881 138.5
[M+HCOO]- 307.95975 155.1
[M+CH3COO]- 321.97540 192.4
[M+Na-2H]- 283.93622 143.6
[M]+ 262.96100 158.7
[M]- 262.96210 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