CID 2734108

Methyl 3-fluorophenylacetate

Structural Information

Molecular Formula
C9H9FO2
SMILES
COC(=O)CC1=CC(=CC=C1)F
InChI
InChI=1S/C9H9FO2/c1-12-9(11)6-7-3-2-4-8(10)5-7/h2-5H,6H2,1H3
InChIKey
OXYLCGRXCQARQV-UHFFFAOYSA-N
Compound name
methyl 2-(3-fluorophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

255
Patents

168.05865 Da
Monoisotopic Mass

2.0
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

No literature data available for this compound.

Patent stripe

patents stripe