CID 4197265

618091-00-2

Structural Information

Molecular Formula

C₁₂H₁₁F₃N₄O

SMILES

CC1=CC=CC=C1N2C(=C(C=N2)C(=O)NN)C(F)(F)F

InChI

InChI=1S/C12H11F3N4O/c1-7-4-2-3-5-9(7)19-10(12(13,14)15)8(6-17-19)11(20)18-16/h2-6H,16H2,1H3,(H,18,20)

InChIKey

INEWEBSCNQRRKP-UHFFFAOYSA-N

Compound name

1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 284.0885 Da
Monoisotopic Mass: 1.7
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]+	285.095776	159.6
[M+Na]+	307.077718	168.7
[M-H]-	283.081224	160.5
[M+NH4]+	302.122323	174.0
[M+K]+	323.051658	164.3
[M+H-H2O]+	267.085760	149.0
[M+HCOO]-	329.086701	178.9
[M+CH3COO]-	343.102351	203.3
[M+Na-2H]-	305.063166	162.0
[M]+	284.08795142	154.7
[M]-	284.08904858	154.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe