CID 211901

Brn 0750252

Structural Information

Molecular Formula
C11H10FN3O2
SMILES
CC1=CC(=NN1)C(=O)OCC2=CC(=CN=C2)F
InChI
InChI=1S/C11H10FN3O2/c1-7-2-10(15-14-7)11(16)17-6-8-3-9(12)5-13-4-8/h2-5H,6H2,1H3,(H,14,15)
InChIKey
XPAKJQSLAOSAKC-UHFFFAOYSA-N
Compound name
(5-fluoropyridin-3-yl)methyl 5-methyl-1H-pyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.0757 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.08298 149.2
[M+Na]+ 258.06492 158.5
[M-H]- 234.06842 149.9
[M+NH4]+ 253.10952 164.0
[M+K]+ 274.03886 154.6
[M+H-H2O]+ 218.07296 139.7
[M+HCOO]- 280.07390 168.5
[M+CH3COO]- 294.08955 186.9
[M+Na-2H]- 256.05037 152.6
[M]+ 235.07515 148.9
[M]- 235.07625 148.9
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.