CID 61216233

N-(3-bromobenzenesulfonyl)acetamide

Structural Information

Molecular Formula
C8H8BrNO3S
SMILES
CC(=O)NS(=O)(=O)C1=CC(=CC=C1)Br
InChI
InChI=1S/C8H8BrNO3S/c1-6(11)10-14(12,13)8-4-2-3-7(9)5-8/h2-5H,1H3,(H,10,11)
InChIKey
PPFWKFSFOCRHOX-UHFFFAOYSA-N
Compound name
N-(3-bromophenyl)sulfonylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

276.94083 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.94811 140.8
[M+Na]+ 299.93005 152.6
[M-H]- 275.93355 147.5
[M+NH4]+ 294.97465 160.8
[M+K]+ 315.90399 140.9
[M+H-H2O]+ 259.93809 140.6
[M+HCOO]- 321.93903 157.7
[M+CH3COO]- 335.95468 192.1
[M+Na-2H]- 297.91550 147.4
[M]+ 276.94028 161.4
[M]- 276.94138 161.4
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