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

345
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

literature stripe

Patent stripe

patents stripe