CID 3604458

(3,4-dimethoxyphenyl)acetyl chloride

Structural Information

Molecular Formula
C10H11ClO3
SMILES
COC1=C(C=C(C=C1)CC(=O)Cl)OC
InChI
InChI=1S/C10H11ClO3/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3
InChIKey
QBJIMTPENIGDOG-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)acetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

705
Patents

214.03967 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.04695 141.5
[M+Na]+ 237.02889 155.2
[M+NH4]+ 232.07349 149.8
[M+K]+ 253.00283 148.8
[M-H]- 213.03239 143.1
[M+Na-2H]- 235.01434 148.0
[M]+ 214.03912 144.2
[M]- 214.04022 144.2
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