CID 4340200

3,5-diethoxybenzoyl chloride

Structural Information

Molecular Formula
C11H13ClO3
SMILES
CCOC1=CC(=CC(=C1)C(=O)Cl)OCC
InChI
InChI=1S/C11H13ClO3/c1-3-14-9-5-8(11(12)13)6-10(7-9)15-4-2/h5-7H,3-4H2,1-2H3
InChIKey
JHDNGEJBXLHONS-UHFFFAOYSA-N
Compound name
3,5-diethoxybenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

228.05533 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.06261 145.6
[M+Na]+ 251.04455 154.8
[M-H]- 227.04805 149.6
[M+NH4]+ 246.08915 165.1
[M+K]+ 267.01849 152.0
[M+H-H2O]+ 211.05259 140.7
[M+HCOO]- 273.05353 165.0
[M+CH3COO]- 287.06918 189.5
[M+Na-2H]- 249.03000 149.9
[M]+ 228.05478 152.2
[M]- 228.05588 152.2
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