CID 90185201

5-(2-bromoacetyl)-n,2-dimethylbenzamide

Structural Information

Molecular Formula
C11H12BrNO2
SMILES
CC1=C(C=C(C=C1)C(=O)CBr)C(=O)NC
InChI
InChI=1S/C11H12BrNO2/c1-7-3-4-8(10(14)6-12)5-9(7)11(15)13-2/h3-5H,6H2,1-2H3,(H,13,15)
InChIKey
BBPFNPGOUOLIKC-UHFFFAOYSA-N
Compound name
5-(2-bromoacetyl)-N,2-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

269.00513 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.01241 149.5
[M+Na]+ 291.99435 151.7
[M+NH4]+ 287.03895 153.3
[M+K]+ 307.96829 152.4
[M-H]- 267.99785 149.7
[M+Na-2H]- 289.97980 152.0
[M]+ 269.00458 148.5
[M]- 269.00568 148.5
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