CID 504041

2-allyloxy-5-bromo-n-methyl-benzamide

Structural Information

Molecular Formula
C11H12BrNO2
SMILES
CNC(=O)C1=C(C=CC(=C1)Br)OCC=C
InChI
InChI=1S/C11H12BrNO2/c1-3-6-15-10-5-4-8(12)7-9(10)11(14)13-2/h3-5,7H,1,6H2,2H3,(H,13,14)
InChIKey
DKCJGUVKUFUJOP-UHFFFAOYSA-N
Compound name
5-bromo-N-methyl-2-prop-2-enoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.00513 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.01241 150.6
[M+Na]+ 291.99435 161.3
[M-H]- 267.99785 156.8
[M+NH4]+ 287.03895 170.5
[M+K]+ 307.96829 149.8
[M+H-H2O]+ 252.00239 149.6
[M+HCOO]- 314.00333 172.5
[M+CH3COO]- 328.01898 196.5
[M+Na-2H]- 289.97980 156.2
[M]+ 269.00458 170.2
[M]- 269.00568 170.2
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

No patent data available for this compound.