CID 2737360

2-fluoro-6-methoxybenzoic acid

Structural Information

Molecular Formula
C8H7FO3
SMILES
COC1=C(C(=CC=C1)F)C(=O)O
InChI
InChI=1S/C8H7FO3/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey
XLNQGZLCGVLNMF-UHFFFAOYSA-N
Compound name
2-fluoro-6-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

359
Patents

170.03792 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.045196 129.5
[M+Na]+ 193.027138 138.7
[M-H]- 169.030644 131.2
[M+NH4]+ 188.071743 149.5
[M+K]+ 209.001078 137.2
[M+H-H2O]+ 153.035180 123.5
[M+HCOO]- 215.036121 151.7
[M+CH3COO]- 229.051771 176.7
[M+Na-2H]- 191.012586 134.6
[M]+ 170.03737142 129.8
[M]- 170.03846858 129.8
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