CID 468845

199594-81-5

Structural Information

Molecular Formula

C₁₆H₁₄F₂N₂O

SMILES

CC1=C2C(=CC=C1)N(C(=N2)CO)CC3=C(C=CC=C3F)F

InChI

InChI=1S/C16H14F2N2O/c1-10-4-2-7-14-16(10)19-15(9-21)20(14)8-11-12(17)5-3-6-13(11)18/h2-7,21H,8-9H2,1H3

InChIKey

ICUYCZJMCOJKBO-UHFFFAOYSA-N

Compound name

[1-[(2,6-difluorophenyl)methyl]-4-methylbenzimidazol-2-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 14
Patents: 288.10742 Da
Monoisotopic Mass: 2.7
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]+	289.11470	163.7
[M+Na]+	311.09664	176.1
[M-H]-	287.10014	166.2
[M+NH4]+	306.14124	179.7
[M+K]+	327.07058	169.2
[M+H-H2O]+	271.10468	153.8
[M+HCOO]-	333.10562	183.3
[M+CH3COO]-	347.12127	175.7
[M+Na-2H]-	309.08209	166.6
[M]+	288.10687	165.0
[M]-	288.10797	165.0

Literature stripe

literature stripe

Patent stripe

patents stripe