CID 46398768

960362-35-0

Structural Information

Molecular Formula
C10H12BrNO3S
SMILES
CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)CBr
InChI
InChI=1S/C10H12BrNO3S/c1-12(2)16(14,15)9-5-3-4-8(6-9)10(13)7-11/h3-6H,7H2,1-2H3
InChIKey
PXAFAJVCQGGTPU-UHFFFAOYSA-N
Compound name
3-(2-bromoacetyl)-N,N-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

304.97214 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.979416 148.9
[M+Na]+ 327.961358 160.0
[M-H]- 303.964864 156.7
[M+NH4]+ 323.005963 168.4
[M+K]+ 343.935298 149.2
[M+H-H2O]+ 287.969400 148.3
[M+HCOO]- 349.970341 165.7
[M+CH3COO]- 363.985991 201.5
[M+Na-2H]- 325.946806 154.1
[M]+ 304.97159142 171.5
[M]- 304.97268858 171.5
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