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

64
Patents

168.05865 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.065926 130.4
[M+Na]+ 191.047868 139.8
[M-H]- 167.051374 133.5
[M+NH4]+ 186.092473 151.5
[M+K]+ 207.021808 138.5
[M+H-H2O]+ 151.055910 124.3
[M+HCOO]- 213.056851 153.7
[M+CH3COO]- 227.072501 179.6
[M+Na-2H]- 189.033316 135.6
[M]+ 168.05810142 131.5
[M]- 168.05919858 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