CID 22645471

Methyl 2-fluoro-5-methylbenzoate

Structural Information

Molecular Formula
C9H9FO2
SMILES
CC1=CC(=C(C=C1)F)C(=O)OC
InChI
InChI=1S/C9H9FO2/c1-6-3-4-8(10)7(5-6)9(11)12-2/h3-5H,1-2H3
InChIKey
KPJYZNQMHXINEO-UHFFFAOYSA-N
Compound name
methyl 2-fluoro-5-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
Patents

168.05865 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06593 133.9
[M+Na]+ 191.04787 146.5
[M+NH4]+ 186.09247 141.8
[M+K]+ 207.02181 140.5
[M-H]- 167.05137 134.5
[M+Na-2H]- 189.03332 140.1
[M]+ 168.05810 135.7
[M]- 168.05920 135.7
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