CID 67953

Ethyl 2-fluorobenzoate

Structural Information

Molecular Formula
C9H9FO2
SMILES
CCOC(=O)C1=CC=CC=C1F
InChI
InChI=1S/C9H9FO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3
InChIKey
RUWPGPOBTHOLHF-UHFFFAOYSA-N
Compound name
ethyl 2-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

233
Patents

168.05865 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06593 131.4
[M+Na]+ 191.04787 139.9
[M-H]- 167.05137 134.1
[M+NH4]+ 186.09247 152.1
[M+K]+ 207.02181 138.5
[M+H-H2O]+ 151.05591 125.0
[M+HCOO]- 213.05685 154.6
[M+CH3COO]- 227.07250 178.5
[M+Na-2H]- 189.03332 137.2
[M]+ 168.05810 132.0
[M]- 168.05920 132.0
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