CID 2758433

3-(2,5-dimethoxyphenyl)prop-2-enoyl chloride

Structural Information

Molecular Formula
C11H11ClO3
SMILES
COC1=CC(=C(C=C1)OC)C=CC(=O)Cl
InChI
InChI=1S/C11H11ClO3/c1-14-9-4-5-10(15-2)8(7-9)3-6-11(12)13/h3-7H,1-2H3
InChIKey
VNZYYMUFZJVDCK-UHFFFAOYSA-N
Compound name
3-(2,5-dimethoxyphenyl)prop-2-enoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

226.03967 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04695 144.5
[M+Na]+ 249.02889 154.1
[M-H]- 225.03239 148.5
[M+NH4]+ 244.07349 164.0
[M+K]+ 265.00283 150.6
[M+H-H2O]+ 209.03693 139.7
[M+HCOO]- 271.03787 164.1
[M+CH3COO]- 285.05352 187.9
[M+Na-2H]- 247.01434 148.8
[M]+ 226.03912 150.2
[M]- 226.04022 150.2
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

patents stripe