CID 84650998

1783446-93-4

Structural Information

Molecular Formula

C₆H₆F₂N₂O

SMILES

CN1C(=CC(=N1)C=O)C(F)F

InChI

InChI=1S/C6H6F2N2O/c1-10-5(6(7)8)2-4(3-11)9-10/h2-3,6H,1H3

InChIKey

GVDJVQKXKWYNOE-UHFFFAOYSA-N

Compound name

5-(difluoromethyl)-1-methylpyrazole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 160.04482 Da
Monoisotopic Mass: 0.7
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]+	161.052096	126.6
[M+Na]+	183.034038	137.2
[M-H]-	159.037544	125.7
[M+NH4]+	178.078643	146.9
[M+K]+	199.007978	135.6
[M+H-H2O]+	143.042080	118.5
[M+HCOO]-	205.043021	147.6
[M+CH3COO]-	219.058671	177.5
[M+Na-2H]-	181.019486	130.3
[M]+	160.04427142	125.8
[M]-	160.04536858	125.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe