CID 119031793

1803608-27-6

Structural Information

Molecular Formula

C₆H₈F₂N₂O

SMILES

CN1C=C(C(=N1)C(F)F)CO

InChI

InChI=1S/C6H8F2N2O/c1-10-2-4(3-11)5(9-10)6(7)8/h2,6,11H,3H2,1H3

InChIKey

TUZVVVXMMTUHBR-UHFFFAOYSA-N

Compound name

[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 162.06047 Da
Monoisotopic Mass: 0.0
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	128.8
[M+Na]+	185.04969	138.6
[M-H]-	161.05319	126.4
[M+NH4]+	180.09429	148.3
[M+K]+	201.02363	136.7
[M+H-H2O]+	145.05773	120.8
[M+HCOO]-	207.05867	148.0
[M+CH3COO]-	221.07432	175.7
[M+Na-2H]-	183.03514	131.9
[M]+	162.05992	126.7
[M]-	162.06102	126.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe