CID 140059

4-ethoxybenzoyl chloride

Structural Information

Molecular Formula
C9H9ClO2
SMILES
CCOC1=CC=C(C=C1)C(=O)Cl
InChI
InChI=1S/C9H9ClO2/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3
InChIKey
XLWQUESMILVIPR-UHFFFAOYSA-N
Compound name
4-ethoxybenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

629
Patents

184.02911 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.03639 134.1
[M+Na]+ 207.01833 143.3
[M-H]- 183.02183 138.0
[M+NH4]+ 202.06293 155.1
[M+K]+ 222.99227 140.3
[M+H-H2O]+ 167.02637 129.6
[M+HCOO]- 229.02731 153.9
[M+CH3COO]- 243.04296 180.3
[M+Na-2H]- 205.00378 140.1
[M]+ 184.02856 138.0
[M]- 184.02966 138.0
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