CID 2774980

3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoyl chloride

Structural Information

Molecular Formula
C11H10Cl2O3
SMILES
COC1=C(C(=C(C=C1)C=CC(=O)Cl)Cl)OC
InChI
InChI=1S/C11H10Cl2O3/c1-15-8-5-3-7(4-6-9(12)14)10(13)11(8)16-2/h3-6H,1-2H3
InChIKey
LUJOUFWJHFXYKV-UHFFFAOYSA-N
Compound name
3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

260.0007 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.00798 149.1
[M+Na]+ 282.98992 159.9
[M-H]- 258.99342 152.8
[M+NH4]+ 278.03452 167.9
[M+K]+ 298.96386 155.0
[M+H-H2O]+ 242.99796 145.4
[M+HCOO]- 304.99890 163.6
[M+CH3COO]- 319.01455 193.7
[M+Na-2H]- 280.97537 152.0
[M]+ 260.00015 156.2
[M]- 260.00125 156.2
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