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]+ 221.07208 144.2
[M+Na]+ 243.05402 153.9
[M-H]- 219.05752 147.7
[M+NH4]+ 238.09862 161.7
[M+K]+ 259.02796 151.2
[M+H-H2O]+ 203.06206 135.3
[M+HCOO]- 265.06300 166.4
[M+CH3COO]- 279.07865 186.6
[M+Na-2H]- 241.03947 148.1
[M]+ 220.06425 145.2
[M]- 220.06535 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.