CID 50896840

1260659-08-2

Structural Information

Molecular Formula

C₆H₈F₂N₂O

SMILES

C1=CN(N=C1CO)CC(F)F

InChI

InChI=1S/C6H8F2N2O/c7-6(8)3-10-2-1-5(4-11)9-10/h1-2,6,11H,3-4H2

InChIKey

FPMDCKWPDBCCJL-UHFFFAOYSA-N

Compound name

[1-(2,2-difluoroethyl)pyrazol-3-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 162.06047 Da
Monoisotopic Mass: 0.2
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]+	163.06775	129.1
[M+Na]+	185.04969	137.9
[M-H]-	161.05319	126.3
[M+NH4]+	180.09429	148.3
[M+K]+	201.02363	136.1
[M+H-H2O]+	145.05773	120.7
[M+HCOO]-	207.05867	148.3
[M+CH3COO]-	221.07432	174.5
[M+Na-2H]-	183.03514	132.9
[M]+	162.05992	126.6
[M]-	162.06102	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe