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-fluoro-3-pyridinyl)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]+ 236.082976 149.2
[M+Na]+ 258.064918 158.5
[M-H]- 234.068424 149.9
[M+NH4]+ 253.109523 164.0
[M+K]+ 274.038858 154.6
[M+H-H2O]+ 218.072960 139.7
[M+HCOO]- 280.073901 168.5
[M+CH3COO]- 294.089551 186.9
[M+Na-2H]- 256.050366 152.6
[M]+ 235.07515142 148.9
[M]- 235.07624858 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.