CID 47002125

2-chloro-n-{phenyl[2-(trifluoromethyl)-1h-1,3-benzodiazol-5-yl]methyl}acetamide

Structural Information

Molecular Formula

C₁₇H₁₃ClF₃N₃O

SMILES

C1=CC=C(C=C1)C(C2=CC3=C(C=C2)N=C(N3)C(F)(F)F)NC(=O)CCl

InChI

InChI=1S/C17H13ClF3N3O/c18-9-14(25)24-15(10-4-2-1-3-5-10)11-6-7-12-13(8-11)23-16(22-12)17(19,20)21/h1-8,15H,9H2,(H,22,23)(H,24,25)

InChIKey

XOPMOURJFBEDNH-UHFFFAOYSA-N

Compound name

2-chloro-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 367.06992 Da
Monoisotopic Mass: 4.1
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]+	368.077196	178.9
[M+Na]+	390.059138	188.0
[M-H]-	366.062644	179.1
[M+NH4]+	385.103743	191.1
[M+K]+	406.033078	180.0
[M+H-H2O]+	350.067180	168.2
[M+HCOO]-	412.068121	190.1
[M+CH3COO]-	426.083771	211.9
[M+Na-2H]-	388.044586	181.9
[M]+	367.06937142	177.4
[M]-	367.07046858	177.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.