CID 11965

2-fluoroethyl benzoate

Structural Information

Molecular Formula
C9H9FO2
SMILES
C1=CC=C(C=C1)C(=O)OCCF
InChI
InChI=1S/C9H9FO2/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
HRGRPAXXFIOCAB-UHFFFAOYSA-N
Compound name
2-fluoroethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

168.05865 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06593 132.2
[M+Na]+ 191.04787 139.7
[M-H]- 167.05137 134.5
[M+NH4]+ 186.09247 152.6
[M+K]+ 207.02181 138.3
[M+H-H2O]+ 151.05591 125.6
[M+HCOO]- 213.05685 155.4
[M+CH3COO]- 227.07250 177.4
[M+Na-2H]- 189.03332 138.6
[M]+ 168.05810 132.5
[M]- 168.05920 132.5
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