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

6
Patents

269.00513 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.012406 151.0
[M+Na]+ 291.994348 161.5
[M-H]- 267.997854 157.3
[M+NH4]+ 287.038953 170.9
[M+K]+ 307.968288 150.4
[M+H-H2O]+ 252.002390 150.2
[M+HCOO]- 314.003331 172.0
[M+CH3COO]- 328.018981 197.4
[M+Na-2H]- 289.979796 155.5
[M]+ 269.00458142 170.1
[M]- 269.00567858 170.1
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