CID 285615

N-(3-bromophenyl)-3-oxobutanamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

254.98949 Da
Monoisotopic Mass

2.7
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

No literature data available for this compound.

Patent stripe

patents stripe