CID 2783157

875664-59-8

Structural Information

Molecular Formula

C₁₀H₆F₂N₂O

SMILES

C1=C(C=C(C=C1F)F)C2=C(C=NN2)C=O

InChI

InChI=1S/C10H6F2N2O/c11-8-1-6(2-9(12)3-8)10-7(5-15)4-13-14-10/h1-5H,(H,13,14)

InChIKey

WYPNQEHRMYDLFU-UHFFFAOYSA-N

Compound name

5-(3,5-difluorophenyl)-1H-pyrazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 208.04482 Da
Monoisotopic Mass: 1.5
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]+	209.052096	139.0
[M+Na]+	231.034038	150.0
[M-H]-	207.037544	140.1
[M+NH4]+	226.078643	156.6
[M+K]+	247.007978	145.1
[M+H-H2O]+	191.042080	129.9
[M+HCOO]-	253.043021	159.7
[M+CH3COO]-	267.058671	182.7
[M+Na-2H]-	229.019486	142.8
[M]+	208.04427142	136.4
[M]-	208.04536858	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe