CID 597196

(4-(trifluoromethyl)-1h-imidazol-5-yl)methanol

Structural Information

Molecular Formula

C₅H₅F₃N₂O

SMILES

C1=NC(=C(N1)CO)C(F)(F)F

InChI

InChI=1S/C5H5F3N2O/c6-5(7,8)4-3(1-11)9-2-10-4/h2,11H,1H2,(H,9,10)

InChIKey

LOQHFYRPMOANSF-UHFFFAOYSA-N

Compound name

[4-(trifluoromethyl)-1H-imidazol-5-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 166.0354 Da
Monoisotopic Mass: 0.1
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	134.7
[M+Na]+	189.02462	141.9
[M+NH4]+	184.06922	139.0
[M+K]+	204.99856	140.1
[M-H]-	165.02812	128.8
[M+Na-2H]-	187.01007	136.9
[M]+	166.03485	133.5
[M]-	166.03595	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe