CID 3016397

2-ethoxybenzoyl chloride

Structural Information

Molecular Formula
C9H9ClO2
SMILES
CCOC1=CC=CC=C1C(=O)Cl
InChI
InChI=1S/C9H9ClO2/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3
InChIKey
MDKAAWDKKBFSTK-UHFFFAOYSA-N
Compound name
2-ethoxybenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

663
Patents

184.02911 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.03639 134.5
[M+Na]+ 207.01833 148.6
[M+NH4]+ 202.06293 143.6
[M+K]+ 222.99227 141.6
[M-H]- 183.02183 136.6
[M+Na-2H]- 205.00378 142.0
[M]+ 184.02856 137.4
[M]- 184.02966 137.4
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