CID 25067368

Methyl 2-fluoro-6-methylbenzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
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

No literature data available for this compound.

Patent stripe

patents stripe