CID 11346858

2065-04-5

Structural Information

Molecular Formula
C9H10BrNO3S
SMILES
CS(=O)(=O)NC1=CC=CC(=C1)C(=O)CBr
InChI
InChI=1S/C9H10BrNO3S/c1-15(13,14)11-8-4-2-3-7(5-8)9(12)6-10/h2-5,11H,6H2,1H3
InChIKey
CPSLFLKTEZYTER-UHFFFAOYSA-N
Compound name
N-[3-(2-bromoacetyl)phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

290.95648 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.96376 145.1
[M+Na]+ 313.94570 156.4
[M-H]- 289.94920 151.6
[M+NH4]+ 308.99030 164.5
[M+K]+ 329.91964 144.4
[M+H-H2O]+ 273.95374 144.7
[M+HCOO]- 335.95468 161.7
[M+CH3COO]- 349.97033 195.5
[M+Na-2H]- 311.93115 151.2
[M]+ 290.95593 166.1
[M]- 290.95703 166.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe