CID 75481699

Methyl 1-(2-fluorophenyl)-1h-pyrazole-3-carboxylate

Structural Information

Molecular Formula
C11H9FN2O2
SMILES
COC(=O)C1=NN(C=C1)C2=CC=CC=C2F
InChI
InChI=1S/C11H9FN2O2/c1-16-11(15)9-6-7-14(13-9)10-5-3-2-4-8(10)12/h2-7H,1H3
InChIKey
AKUXMCDUDUXGKZ-UHFFFAOYSA-N
Compound name
methyl 1-(2-fluorophenyl)pyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0648 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.072076 144.2
[M+Na]+ 243.054018 153.9
[M-H]- 219.057524 147.7
[M+NH4]+ 238.098623 161.7
[M+K]+ 259.027958 151.2
[M+H-H2O]+ 203.062060 135.3
[M+HCOO]- 265.063001 166.4
[M+CH3COO]- 279.078651 186.6
[M+Na-2H]- 241.039466 148.1
[M]+ 220.06425142 145.2
[M]- 220.06534858 145.2
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.