CID 7017068

1002032-66-7

Structural Information

Molecular Formula

C₉H₁₀F₂N₂O₂

SMILES

C1CC1C2=CC(=NN2CC(=O)O)C(F)F

InChI

InChI=1S/C9H10F2N2O2/c10-9(11)6-3-7(5-1-2-5)13(12-6)4-8(14)15/h3,5,9H,1-2,4H2,(H,14,15)

InChIKey

KFYMLAWTVBTSLH-UHFFFAOYSA-N

Compound name

2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 216.07103 Da
Monoisotopic Mass: 1.2
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]+	217.078306	142.9
[M+Na]+	239.060248	153.1
[M-H]-	215.063754	144.3
[M+NH4]+	234.104853	155.1
[M+K]+	255.034188	148.6
[M+H-H2O]+	199.068290	133.9
[M+HCOO]-	261.069231	161.1
[M+CH3COO]-	275.084881	188.4
[M+Na-2H]-	237.045696	143.7
[M]+	216.07048142	143.2
[M]-	216.07157858	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe