CID 598820

N-(4-bromophenyl)-3-oxobutanamide

Structural Information

Molecular Formula
C10H10BrNO2
SMILES
CC(=O)CC(=O)NC1=CC=C(C=C1)Br
InChI
InChI=1S/C10H10BrNO2/c1-7(13)6-10(14)12-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H,12,14)
InChIKey
JIOJEVGOXBFZDM-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

254.98949 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.996766 147.2
[M+Na]+ 277.978708 157.2
[M-H]- 253.982214 153.3
[M+NH4]+ 273.023313 167.3
[M+K]+ 293.952648 146.3
[M+H-H2O]+ 237.986750 146.4
[M+HCOO]- 299.987691 168.6
[M+CH3COO]- 314.003341 193.4
[M+Na-2H]- 275.964156 152.8
[M]+ 254.98894142 165.6
[M]- 254.99003858 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

literature stripe

Patent stripe

patents stripe