CID 19232

Chlorflurazole

Structural Information

Molecular Formula

C₈H₃Cl₂F₃N₂

SMILES

C1=CC(=C(C2=C1NC(=N2)C(F)(F)F)Cl)Cl

InChI

InChI=1S/C8H3Cl2F3N2/c9-3-1-2-4-6(5(3)10)15-7(14-4)8(11,12)13/h1-2H,(H,14,15)

InChIKey

KSROTSBULDYPKA-UHFFFAOYSA-N

Compound name

4,5-dichloro-2-(trifluoromethyl)-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 4812
Patents: 253.96254 Da
Monoisotopic Mass: 3.6
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]+	254.969816	143.2
[M+Na]+	276.951758	157.4
[M-H]-	252.955264	140.4
[M+NH4]+	271.996363	161.7
[M+K]+	292.925698	149.8
[M+H-H2O]+	236.959800	135.6
[M+HCOO]-	298.960741	151.4
[M+CH3COO]-	312.976391	155.5
[M+Na-2H]-	274.937206	148.5
[M]+	253.96199142	143.1
[M]-	253.96308858	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe