CID 211887

Brn 0407586

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.06006 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.06734 144.5
[M+Na]+ 244.04928 153.2
[M-H]- 220.05278 144.9
[M+NH4]+ 239.09388 159.5
[M+K]+ 260.02322 149.6
[M+H-H2O]+ 204.05732 134.8
[M+HCOO]- 266.05826 164.1
[M+CH3COO]- 280.07391 182.8
[M+Na-2H]- 242.03473 149.1
[M]+ 221.05951 143.4
[M]- 221.06061 143.4
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.