CID 4961849

851879-26-0

Structural Information

Molecular Formula

C₁₀H₁₀F₂N₂O

SMILES

CC(C1=NC2=CC=CC=C2N1C(F)F)O

InChI

InChI=1S/C10H10F2N2O/c1-6(15)9-13-7-4-2-3-5-8(7)14(9)10(11)12/h2-6,10,15H,1H3

InChIKey

UOOOFUIKYLLQLE-UHFFFAOYSA-N

Compound name

1-[1-(difluoromethyl)benzimidazol-2-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 212.07613 Da
Monoisotopic Mass: 1.8
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]+	213.083406	141.4
[M+Na]+	235.065348	151.8
[M-H]-	211.068854	140.2
[M+NH4]+	230.109953	160.0
[M+K]+	251.039288	148.2
[M+H-H2O]+	195.073390	133.0
[M+HCOO]-	257.074331	159.8
[M+CH3COO]-	271.089981	185.7
[M+Na-2H]-	233.050796	145.3
[M]+	212.07558142	140.7
[M]-	212.07667858	140.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.