CID 11832723

4-(2-bromoacetyl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C8H8BrNO3S
SMILES
C1=CC(=CC=C1C(=O)CBr)S(=O)(=O)N
InChI
InChI=1S/C8H8BrNO3S/c9-5-8(11)6-1-3-7(4-2-6)14(10,12)13/h1-4H,5H2,(H2,10,12,13)
InChIKey
CYXRPWCLRVINRW-UHFFFAOYSA-N
Compound name
4-(2-bromoacetyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

276.94083 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.94811 141.5
[M+Na]+ 299.93005 153.2
[M-H]- 275.93355 147.6
[M+NH4]+ 294.97465 161.1
[M+K]+ 315.90399 141.0
[M+H-H2O]+ 259.93809 141.2
[M+HCOO]- 321.93903 157.8
[M+CH3COO]- 335.95468 192.1
[M+Na-2H]- 297.91550 147.1
[M]+ 276.94028 161.2
[M]- 276.94138 161.2
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