CID 1536921

329266-67-3

Structural Information

Molecular Formula

C₁₅H₁₂Cl₂F₃NO

SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)C(F)(F)F)C)C(=O)CCl

InChI

InChI=1S/C15H12Cl2F3NO/c1-8-5-11(14(22)7-16)9(2)21(8)10-3-4-13(17)12(6-10)15(18,19)20/h3-6H,7H2,1-2H3

InChIKey

MZUMFPMUKCTKSC-UHFFFAOYSA-N

Compound name

2-chloro-1-[1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 349.0248 Da
Monoisotopic Mass: 4.9
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]+	350.032076	171.4
[M+Na]+	372.014018	183.7
[M-H]-	348.017524	173.3
[M+NH4]+	367.058623	187.2
[M+K]+	387.987958	176.0
[M+H-H2O]+	332.022060	163.1
[M+HCOO]-	394.023001	179.8
[M+CH3COO]-	408.038651	211.1
[M+Na-2H]-	369.999466	169.7
[M]+	349.02425142	173.6
[M]-	349.02534858	173.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.