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

31
Patents

276.94083 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.948106 140.8
[M+Na]+ 299.930048 152.6
[M-H]- 275.933554 147.5
[M+NH4]+ 294.974653 160.8
[M+K]+ 315.903988 140.9
[M+H-H2O]+ 259.938090 140.6
[M+HCOO]- 321.939031 157.7
[M+CH3COO]- 335.954681 192.1
[M+Na-2H]- 297.915496 147.4
[M]+ 276.94028142 161.4
[M]- 276.94137858 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