CID 33676673

1169973-47-0

Structural Information

Molecular Formula

C₁₁H₉FN₂O₃

SMILES

COC1=CN(N=C1C(=O)O)C2=CC=C(C=C2)F

InChI

InChI=1S/C11H9FN2O3/c1-17-9-6-14(13-10(9)11(15)16)8-4-2-7(12)3-5-8/h2-6H,1H3,(H,15,16)

InChIKey

FOSJRFHQENWOKN-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 236.05972 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	237.06700	147.2
[M+Na]+	259.04894	157.1
[M-H]-	235.05244	149.7
[M+NH4]+	254.09354	163.5
[M+K]+	275.02288	154.1
[M+H-H2O]+	219.05698	138.7
[M+HCOO]-	281.05792	168.0
[M+CH3COO]-	295.07357	188.0
[M+Na-2H]-	257.03439	150.0
[M]+	236.05917	148.2
[M]-	236.06027	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe