CID 60136443

1296225-26-7

Structural Information

Molecular Formula

C₆H₇F₃N₂O

SMILES

C1=C(N(N=C1)CC(F)(F)F)CO

InChI

InChI=1S/C6H7F3N2O/c7-6(8,9)4-11-5(3-12)1-2-10-11/h1-2,12H,3-4H2

InChIKey

OLEOSAFQUZVEJJ-UHFFFAOYSA-N

Compound name

[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 115
Patents: 180.05104 Da
Monoisotopic Mass: 0.4
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]+	181.05832	139.1
[M+Na]+	203.04026	146.7
[M+NH4]+	198.08486	143.7
[M+K]+	219.01420	144.4
[M-H]-	179.04376	133.7
[M+Na-2H]-	201.02571	141.6
[M]+	180.05049	138.2
[M]-	180.05159	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe