CID 18759805

Methyl 2-fluoro-4-methylbenzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

209
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 130.4
[M+Na]+ 191.04787 139.8
[M-H]- 167.05137 133.5
[M+NH4]+ 186.09247 151.5
[M+K]+ 207.02181 138.5
[M+H-H2O]+ 151.05591 124.3
[M+HCOO]- 213.05685 153.7
[M+CH3COO]- 227.07250 179.6
[M+Na-2H]- 189.03332 135.6
[M]+ 168.05810 131.5
[M]- 168.05920 131.5
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