CID 211902

23723-41-3

Structural Information

Molecular Formula
C10H8FN3O2
SMILES
C1=C(NN=C1)C(=O)OCC2=CC(=CN=C2)F
InChI
InChI=1S/C10H8FN3O2/c11-8-3-7(4-12-5-8)6-16-10(15)9-1-2-13-14-9/h1-5H,6H2,(H,13,14)
InChIKey
JUKKPLZYHVGVCR-UHFFFAOYSA-N
Compound name
(5-fluoropyridin-3-yl)methyl 1H-pyrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.06006 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.06734 146.8
[M+Na]+ 244.04928 158.3
[M+NH4]+ 239.09388 152.5
[M+K]+ 260.02322 155.0
[M-H]- 220.05278 145.9
[M+Na-2H]- 242.03473 153.1
[M]+ 221.05951 147.8
[M]- 221.06061 147.8
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.