CID 78282

3,4,5-trimethoxybenzoyl chloride

Structural Information

Molecular Formula
C10H11ClO4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)Cl
InChI
InChI=1S/C10H11ClO4/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3
InChIKey
BUHYMJLFRZAFBF-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxybenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

2561
Patents

230.03459 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04187 142.6
[M+Na]+ 253.02381 153.0
[M-H]- 229.02731 147.1
[M+NH4]+ 248.06841 162.2
[M+K]+ 268.99775 151.1
[M+H-H2O]+ 213.03185 138.0
[M+HCOO]- 275.03279 162.5
[M+CH3COO]- 289.04844 189.7
[M+Na-2H]- 251.00926 146.9
[M]+ 230.03404 150.6
[M]- 230.03514 150.6
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