CID 596088

(2,5-dimethoxyphenyl)acetyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

318
Patents

214.03967 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.046946 140.9
[M+Na]+ 237.028888 150.5
[M-H]- 213.032394 145.0
[M+NH4]+ 232.073493 160.9
[M+K]+ 253.002828 147.9
[M+H-H2O]+ 197.036930 136.2
[M+HCOO]- 259.037871 160.5
[M+CH3COO]- 273.053521 186.5
[M+Na-2H]- 235.014336 145.7
[M]+ 214.03912142 147.0
[M]- 214.04021858 147.0
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