CID 77070

3,4-dimethoxybenzoyl chloride

Structural Information

Molecular Formula
C9H9ClO3
SMILES
COC1=C(C=C(C=C1)C(=O)Cl)OC
InChI
InChI=1S/C9H9ClO3/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3
InChIKey
VIOBGCWEHLRBEP-UHFFFAOYSA-N
Compound name
3,4-dimethoxybenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1884
Patents

200.02402 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03130 136.9
[M+Na]+ 223.01324 150.8
[M+NH4]+ 218.05784 145.4
[M+K]+ 238.98718 144.7
[M-H]- 199.01674 138.6
[M+Na-2H]- 220.99869 143.7
[M]+ 200.02347 139.7
[M]- 200.02457 139.7
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