CID 13615328

107344-63-8

Structural Information

Molecular Formula

C₆H₇F₃N₂O

SMILES

CN1C=CN=C1C(C(F)(F)F)O

InChI

InChI=1S/C6H7F3N2O/c1-11-3-2-10-5(11)4(12)6(7,8)9/h2-4,12H,1H3

InChIKey

VCWWANSAFLSDNW-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 180.05104 Da
Monoisotopic Mass: 0.3
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	139.2
[M+Na]+	203.04026	146.4
[M+NH4]+	198.08486	143.6
[M+K]+	219.01420	144.9
[M-H]-	179.04376	133.6
[M+Na-2H]-	201.02571	141.4
[M]+	180.05049	138.1
[M]-	180.05159	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe