CID 244434

2',4',5'-trichloroformanilide

Structural Information

Molecular Formula

C₇H₄Cl₃NO

SMILES

C1=C(C(=CC(=C1Cl)Cl)Cl)NC=O

InChI

InChI=1S/C7H4Cl3NO/c8-4-1-6(10)7(11-3-12)2-5(4)9/h1-3H,(H,11,12)

InChIKey

ZABZWLVBLUDZDR-UHFFFAOYSA-N

Compound name

N-(2,4,5-trichlorophenyl)formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 222.93585 Da
Monoisotopic Mass: 3.0
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]+	223.94313	139.7
[M+Na]+	245.92507	151.0
[M-H]-	221.92857	142.2
[M+NH4]+	240.96967	159.4
[M+K]+	261.89901	145.0
[M+H-H2O]+	205.93311	137.0
[M+HCOO]-	267.93405	150.9
[M+CH3COO]-	281.94970	188.8
[M+Na-2H]-	243.91052	144.5
[M]+	222.93530	142.9
[M]-	222.93640	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe