CID 81783

Ethyl 2-chlorobenzoate

Structural Information

Molecular Formula
C9H9ClO2
SMILES
CCOC(=O)C1=CC=CC=C1Cl
InChI
InChI=1S/C9H9ClO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3
InChIKey
RETLCWPMLJPOTP-UHFFFAOYSA-N
Compound name
ethyl 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

923
Patents

184.02911 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.036386 134.3
[M+Na]+ 207.018328 143.6
[M-H]- 183.021834 138.3
[M+NH4]+ 202.062933 155.4
[M+K]+ 222.992268 140.6
[M+H-H2O]+ 167.026370 129.8
[M+HCOO]- 229.027311 154.1
[M+CH3COO]- 243.042961 179.6
[M+Na-2H]- 205.003776 140.3
[M]+ 184.02856142 138.1
[M]- 184.02965858 138.1
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