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 151.0
[M+Na]+ 291.99435 161.5
[M-H]- 267.99785 157.3
[M+NH4]+ 287.03895 170.9
[M+K]+ 307.96829 150.4
[M+H-H2O]+ 252.00239 150.2
[M+HCOO]- 314.00333 172.0
[M+CH3COO]- 328.01898 197.4
[M+Na-2H]- 289.97980 155.5
[M]+ 269.00458 170.1
[M]- 269.00568 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