CID 57900552

3-(bromomethyl)-n,n-dimethylbenzenesulfonamide

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 139.0
[M+Na]+ 299.96642 141.2
[M+NH4]+ 295.01102 143.7
[M+K]+ 315.94036 141.1
[M-H]- 275.96992 139.5
[M+Na-2H]- 297.95187 142.9
[M]+ 276.97665 138.7
[M]- 276.97775 138.7
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