CID 118850269

1803753-87-8

Structural Information

Molecular Formula
C7H3FN2O2
SMILES
C1=CN=C(C(=C1C#N)F)C(=O)O
InChI
InChI=1S/C7H3FN2O2/c8-5-4(3-9)1-2-10-6(5)7(11)12/h1-2H,(H,11,12)
InChIKey
VRYIJQUGXFEYGO-UHFFFAOYSA-N
Compound name
4-cyano-3-fluoropyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

166.01785 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.02513 128.8
[M+Na]+ 189.00707 139.8
[M-H]- 165.01057 128.7
[M+NH4]+ 184.05167 145.4
[M+K]+ 204.98101 137.4
[M+H-H2O]+ 149.01511 115.5
[M+HCOO]- 211.01605 146.4
[M+CH3COO]- 225.03170 188.3
[M+Na-2H]- 186.99252 134.0
[M]+ 166.01730 122.6
[M]- 166.01840 122.6
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