CID 24694840

1-(2,4-difluorophenyl)-3,5-dimethyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula

C₁₂H₁₀F₂N₂O

SMILES

CC1=C(C(=NN1C2=C(C=C(C=C2)F)F)C)C=O

InChI

InChI=1S/C12H10F2N2O/c1-7-10(6-17)8(2)16(15-7)12-4-3-9(13)5-11(12)14/h3-6H,1-2H3

InChIKey

INEVOTSMFVMARO-UHFFFAOYSA-N

Compound name

1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 236.07613 Da
Monoisotopic Mass: 2.4
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]+	237.083406	147.2
[M+Na]+	259.065348	159.8
[M-H]-	235.068854	150.2
[M+NH4]+	254.109953	165.1
[M+K]+	275.039288	155.2
[M+H-H2O]+	219.073390	138.1
[M+HCOO]-	281.074331	168.7
[M+CH3COO]-	295.089981	193.6
[M+Na-2H]-	257.050796	149.1
[M]+	236.07558142	148.0
[M]-	236.07667858	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.