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 133.9
[M+Na]+ 204.00674 145.3
[M-H]- 180.01024 134.6
[M+NH4]+ 199.05134 151.0
[M+K]+ 219.98068 142.4
[M+H-H2O]+ 164.01478 122.0
[M+HCOO]- 226.01572 151.4
[M+CH3COO]- 240.03137 189.4
[M+Na-2H]- 201.99219 137.5
[M]+ 181.01697 127.7
[M]- 181.01807 127.7
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.