CID 54793350

N-(3-acetylphenyl)-2-bromoacetamide

Structural Information

Molecular Formula
C10H10BrNO2
SMILES
CC(=O)C1=CC(=CC=C1)NC(=O)CBr
InChI
InChI=1S/C10H10BrNO2/c1-7(13)8-3-2-4-9(5-8)12-10(14)6-11/h2-5H,6H2,1H3,(H,12,14)
InChIKey
VQKPIBXNDMSXOU-UHFFFAOYSA-N
Compound name
N-(3-acetylphenyl)-2-bromoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.98949 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.99677 147.2
[M+Na]+ 277.97871 157.2
[M-H]- 253.98221 153.3
[M+NH4]+ 273.02331 167.3
[M+K]+ 293.95265 146.3
[M+H-H2O]+ 237.98675 146.4
[M+HCOO]- 299.98769 168.6
[M+CH3COO]- 314.00334 193.4
[M+Na-2H]- 275.96416 152.8
[M]+ 254.98894 165.6
[M]- 254.99004 165.6
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

No patent data available for this compound.