CID 10329653

1-methyl-5-(trifluoromethyl)-1h-pyrazol-4-ol

Structural Information

Molecular Formula

C₅H₅F₃N₂O

SMILES

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

InChI

InChI=1S/C5H5F3N2O/c1-10-4(5(6,7)8)3(11)2-9-10/h2,11H,1H3

InChIKey

XGHXHATWNVUQCN-UHFFFAOYSA-N

Compound name

1-methyl-5-(trifluoromethyl)pyrazol-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 166.0354 Da
Monoisotopic Mass: 0.8
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]+	167.04268	135.6
[M+Na]+	189.02462	143.7
[M+NH4]+	184.06922	140.3
[M+K]+	204.99856	141.8
[M-H]-	165.02812	130.3
[M+Na-2H]-	187.01007	138.1
[M]+	166.03485	134.8
[M]-	166.03595	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe