CID 118997650

Dilithium(1+) 2-cyano-4-fluoro-3-oxidobenzoate

Structural Information

Molecular Formula
C8H4FNO3
SMILES
C1=CC(=C(C(=C1C(=O)O)C#N)O)F
InChI
InChI=1S/C8H4FNO3/c9-6-2-1-4(8(12)13)5(3-10)7(6)11/h1-2,11H,(H,12,13)
InChIKey
DYFPLXYLRNBVEL-UHFFFAOYSA-N
Compound name
2-cyano-4-fluoro-3-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.01752 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.02480 135.4
[M+Na]+ 204.00674 146.2
[M+NH4]+ 199.05134 138.3
[M+K]+ 219.98068 138.8
[M-H]- 180.01024 126.8
[M+Na-2H]- 201.99219 137.2
[M]+ 181.01697 133.4
[M]- 181.01807 133.4
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

No patent data available for this compound.