CID 11806394

39856-08-1

Structural Information

Molecular Formula
C11H11ClO3
SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)Cl)OC
InChI
InChI=1S/C11H11ClO3/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3/b6-4+
InChIKey
HGDZRSNJGRIAKS-GQCTYLIASA-N
Compound name
(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
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

literature stripe

Patent stripe

patents stripe