CID 2733233

Methyl 2-(4-fluorophenyl)acetate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

729
Patents

168.05865 Da
Monoisotopic Mass

1.9
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

literature stripe

Patent stripe

patents stripe