CID 91088026

1-(trifluoromethyl)-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula

C₅H₃F₃N₂O

SMILES

C1=C(C=NN1C(F)(F)F)C=O

InChI

InChI=1S/C5H3F3N2O/c6-5(7,8)10-2-4(3-11)1-9-10/h1-3H

InChIKey

CVIZRECPEHSAKE-UHFFFAOYSA-N

Compound name

1-(trifluoromethyl)pyrazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 164.01974 Da
Monoisotopic Mass: 0.8
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]+	165.02702	134.9
[M+Na]+	187.00896	143.1
[M+NH4]+	182.05356	139.7
[M+K]+	202.98290	140.6
[M-H]-	163.01246	129.8
[M+Na-2H]-	184.99441	138.0
[M]+	164.01919	134.1
[M]-	164.02029	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe