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

16
Patents

276.9772 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.98448 142.8
[M+Na]+ 299.96642 154.7
[M-H]- 275.96992 150.9
[M+NH4]+ 295.01102 163.7
[M+K]+ 315.94036 143.7
[M+H-H2O]+ 259.97446 142.5
[M+HCOO]- 321.97540 160.6
[M+CH3COO]- 335.99105 196.8
[M+Na-2H]- 297.95187 149.3
[M]+ 276.97665 165.1
[M]- 276.97775 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