CID 19865915

121343-80-4

Structural Information

Molecular Formula
C7H6FNO2
SMILES
C1=CC(=NC=C1C(=O)O)CF
InChI
InChI=1S/C7H6FNO2/c8-3-6-2-1-5(4-9-6)7(10)11/h1-2,4H,3H2,(H,10,11)
InChIKey
ORXKMNLVJJXPQE-UHFFFAOYSA-N
Compound name
6-(fluoromethyl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

155.03825 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04553 127.1
[M+Na]+ 178.02747 135.9
[M-H]- 154.03097 127.1
[M+NH4]+ 173.07207 146.1
[M+K]+ 194.00141 133.9
[M+H-H2O]+ 138.03551 120.3
[M+HCOO]- 200.03645 148.1
[M+CH3COO]- 214.05210 173.1
[M+Na-2H]- 176.01292 133.5
[M]+ 155.03770 125.7
[M]- 155.03880 125.7
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

patents stripe