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

10
Patents

304.97214 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.97942 148.9
[M+Na]+ 327.96136 160.0
[M-H]- 303.96486 156.7
[M+NH4]+ 323.00596 168.4
[M+K]+ 343.93530 149.2
[M+H-H2O]+ 287.96940 148.3
[M+HCOO]- 349.97034 165.7
[M+CH3COO]- 363.98599 201.5
[M+Na-2H]- 325.94681 154.1
[M]+ 304.97159 171.5
[M]- 304.97269 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