CID 468842

199594-67-7

Structural Information

Molecular Formula

C₁₈H₁₈F₂N₂

SMILES

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

InChI

InChI=1S/C18H18F2N2/c1-11(2)18-21-17-12(3)6-4-9-16(17)22(18)10-13-14(19)7-5-8-15(13)20/h4-9,11H,10H2,1-3H3

InChIKey

VHVDRHABPLFKJW-UHFFFAOYSA-N

Compound name

1-[(2,6-difluorophenyl)methyl]-4-methyl-2-propan-2-ylbenzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 300.1438 Da
Monoisotopic Mass: 4.8
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]+	301.15108	169.5
[M+Na]+	323.13302	181.2
[M-H]-	299.13652	173.1
[M+NH4]+	318.17762	185.7
[M+K]+	339.10696	174.6
[M+H-H2O]+	283.14106	159.2
[M+HCOO]-	345.14200	188.6
[M+CH3COO]-	359.15765	181.3
[M+Na-2H]-	321.11847	170.5
[M]+	300.14325	171.2
[M]-	300.14435	171.2

Literature stripe

literature stripe

Patent stripe

patents stripe