CID 2733230

Methyl 2-fluorophenylacetate

Structural Information

Molecular Formula
C9H9FO2
SMILES
COC(=O)CC1=CC=CC=C1F
InChI
InChI=1S/C9H9FO2/c1-12-9(11)6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3
InChIKey
TWXVEZBPKFIMBB-UHFFFAOYSA-N
Compound name
methyl 2-(2-fluorophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

304
Patents

168.05865 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.065926 131.4
[M+Na]+ 191.047868 139.9
[M-H]- 167.051374 134.1
[M+NH4]+ 186.092473 152.1
[M+K]+ 207.021808 138.5
[M+H-H2O]+ 151.055910 125.0
[M+HCOO]- 213.056851 154.6
[M+CH3COO]- 227.072501 178.5
[M+Na-2H]- 189.033316 137.2
[M]+ 168.05810142 132.0
[M]- 168.05919858 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

No literature data available for this compound.

Patent stripe

patents stripe