CID 55949

89427-09-8

Structural Information

Molecular Formula

C₉H₃ClF₆N₂

SMILES

C1=C(C=C2C(=C1C(F)(F)F)N=C(N2)C(F)(F)F)Cl

InChI

InChI=1S/C9H3ClF6N2/c10-3-1-4(8(11,12)13)6-5(2-3)17-7(18-6)9(14,15)16/h1-2H,(H,17,18)

InChIKey

JUWDRLQORVCZOE-UHFFFAOYSA-N

Compound name

6-chloro-2,4-bis(trifluoromethyl)-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 287.9889 Da
Monoisotopic Mass: 3.9
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]+	288.99618	150.8
[M+Na]+	310.97812	164.9
[M-H]-	286.98162	145.2
[M+NH4]+	306.02272	167.6
[M+K]+	326.95206	157.5
[M+H-H2O]+	270.98616	140.6
[M+HCOO]-	332.98710	159.1
[M+CH3COO]-	347.00275	194.8
[M+Na-2H]-	308.96357	155.5
[M]+	287.98835	145.9
[M]-	287.98945	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe