CID 68254033

1200498-46-9

Structural Information

Molecular Formula
C7H3FN2O2
SMILES
C1=C(C=NC(=C1F)C(=O)O)C#N
InChI
InChI=1S/C7H3FN2O2/c8-5-1-4(2-9)3-10-6(5)7(11)12/h1,3H,(H,11,12)
InChIKey
XFSFTCXJXGULGN-UHFFFAOYSA-N
Compound name
5-cyano-3-fluoropyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

166.01785 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.025126 128.8
[M+Na]+ 189.007068 139.8
[M-H]- 165.010574 128.7
[M+NH4]+ 184.051673 145.4
[M+K]+ 204.981008 137.4
[M+H-H2O]+ 149.015110 115.5
[M+HCOO]- 211.016051 146.4
[M+CH3COO]- 225.031701 188.3
[M+Na-2H]- 186.992516 134.0
[M]+ 166.01730142 122.6
[M]- 166.01839858 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