CID 12818

4-bromo-n,n-dimethylbenzenesulphonamide

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

379
Patents

262.96155 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.96883 138.3
[M+Na]+ 285.95077 150.6
[M-H]- 261.95427 146.5
[M+NH4]+ 280.99537 159.7
[M+K]+ 301.92471 139.8
[M+H-H2O]+ 245.95881 138.2
[M+HCOO]- 307.95975 156.3
[M+CH3COO]- 321.97540 194.0
[M+Na-2H]- 283.93622 145.3
[M]+ 262.96100 160.2
[M]- 262.96210 160.2
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.