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

74
Patents

168.05865 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.065926 132.2
[M+Na]+ 191.047868 139.7
[M-H]- 167.051374 134.5
[M+NH4]+ 186.092473 152.6
[M+K]+ 207.021808 138.3
[M+H-H2O]+ 151.055910 125.6
[M+HCOO]- 213.056851 155.4
[M+CH3COO]- 227.072501 177.4
[M+Na-2H]- 189.033316 138.6
[M]+ 168.05810142 132.5
[M]- 168.05919858 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