CID 21498563

4-hydroxy-3,5-dimethoxybenzoyl chloride

Structural Information

Molecular Formula
C9H9ClO4
SMILES
COC1=CC(=CC(=C1O)OC)C(=O)Cl
InChI
InChI=1S/C9H9ClO4/c1-13-6-3-5(9(10)12)4-7(14-2)8(6)11/h3-4,11H,1-2H3
InChIKey
KQMFVBABPYFGIG-UHFFFAOYSA-N
Compound name
4-hydroxy-3,5-dimethoxybenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

216.01894 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.02622 140.1
[M+Na]+ 239.00816 153.3
[M+NH4]+ 234.05276 147.6
[M+K]+ 254.98210 148.2
[M-H]- 215.01166 140.7
[M+Na-2H]- 236.99361 145.5
[M]+ 216.01839 142.3
[M]- 216.01949 142.3
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

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