CID 13542026

2,2,2-trifluoro-1-(1h-imidazol-2-yl)ethan-1-ol hydrochloride

Structural Information

Molecular Formula

C₅H₅F₃N₂O

SMILES

C1=CN=C(N1)C(C(F)(F)F)O

InChI

InChI=1S/C5H5F3N2O/c6-5(7,8)3(11)4-9-1-2-10-4/h1-3,11H,(H,9,10)

InChIKey

MKTAGPGPPNUHJX-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-1-(1H-imidazol-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 166.0354 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]+	167.04268	128.2
[M+Na]+	189.02462	136.6
[M-H]-	165.02812	122.8
[M+NH4]+	184.06922	146.3
[M+K]+	204.99856	134.1
[M+H-H2O]+	149.03266	119.7
[M+HCOO]-	211.03360	143.6
[M+CH3COO]-	225.04925	170.3
[M+Na-2H]-	187.01007	132.9
[M]+	166.03485	121.2
[M]-	166.03595	121.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe