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

5
Patents

226.03967 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.046946 144.5
[M+Na]+ 249.028888 154.1
[M-H]- 225.032394 148.5
[M+NH4]+ 244.073493 164.0
[M+K]+ 265.002828 150.6
[M+H-H2O]+ 209.036930 139.7
[M+HCOO]- 271.037871 164.1
[M+CH3COO]- 285.053521 187.9
[M+Na-2H]- 247.014336 148.8
[M]+ 226.03912142 150.2
[M]- 226.04021858 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