CID 57900552

137638-70-1

Structural Information

Molecular Formula
C9H12BrNO2S
SMILES
CN(C)S(=O)(=O)C1=CC=CC(=C1)CBr
InChI
InChI=1S/C9H12BrNO2S/c1-11(2)14(12,13)9-5-3-4-8(6-9)7-10/h3-6H,7H2,1-2H3
InChIKey
OGQSPMCAGRNFRA-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-N,N-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

276.9772 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.984476 142.8
[M+Na]+ 299.966418 154.7
[M-H]- 275.969924 150.9
[M+NH4]+ 295.011023 163.7
[M+K]+ 315.940358 143.7
[M+H-H2O]+ 259.974460 142.5
[M+HCOO]- 321.975401 160.6
[M+CH3COO]- 335.991051 196.8
[M+Na-2H]- 297.951866 149.3
[M]+ 276.97665142 165.1
[M]- 276.97774858 165.1
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