CID 118469306

3-cyano-6-fluoro-2-methoxybenzoic acid

Structural Information

Molecular Formula
C9H6FNO3
SMILES
COC1=C(C=CC(=C1C(=O)O)F)C#N
InChI
InChI=1S/C9H6FNO3/c1-14-8-5(4-11)2-3-6(10)7(8)9(12)13/h2-3H,1H3,(H,12,13)
InChIKey
UKEOTBCGUDQPFP-UHFFFAOYSA-N
Compound name
3-cyano-6-fluoro-2-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

195.03317 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.04045 138.9
[M+Na]+ 218.02239 150.1
[M+NH4]+ 213.06699 142.1
[M+K]+ 233.99633 142.2
[M-H]- 194.02589 130.8
[M+Na-2H]- 216.00784 141.1
[M]+ 195.03262 137.2
[M]- 195.03372 137.2
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