CID 469416

142356-63-6

Structural Information

Molecular Formula

C₇H₃ClF₂N₂

SMILES

C1=C2C(=CC(=C1F)F)N=C(N2)Cl

InChI

InChI=1S/C7H3ClF2N2/c8-7-11-5-1-3(9)4(10)2-6(5)12-7/h1-2H,(H,11,12)

InChIKey

VFELEJMYVUPGEO-UHFFFAOYSA-N

Compound name

2-chloro-5,6-difluoro-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 84
Patents: 187.99529 Da
Monoisotopic Mass: 2.6
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]+	189.00257	129.0
[M+Na]+	210.98451	143.1
[M-H]-	186.98801	128.1
[M+NH4]+	206.02911	149.9
[M+K]+	226.95845	136.9
[M+H-H2O]+	170.99255	121.8
[M+HCOO]-	232.99349	145.5
[M+CH3COO]-	247.00914	143.2
[M+Na-2H]-	208.96996	135.7
[M]+	187.99474	129.3
[M]-	187.99584	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe