CID 30331

Chloraniformethan

Structural Information

Molecular Formula

C₉H₇Cl₅N₂O

SMILES

C1=CC(=C(C=C1NC(C(Cl)(Cl)Cl)NC=O)Cl)Cl

InChI

InChI=1S/C9H7Cl5N2O/c10-6-2-1-5(3-7(6)11)16-8(15-4-17)9(12,13)14/h1-4,8,16H,(H,15,17)

InChIKey

REEFSLKDEDEWAO-UHFFFAOYSA-N

Compound name

N-[2,2,2-trichloro-1-(3,4-dichloroanilino)ethyl]formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 10572
Patents: 333.90012 Da
Monoisotopic Mass: 5.1
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]+	334.90740	174.9
[M+Na]+	356.88934	186.3
[M+NH4]+	351.93394	181.6
[M+K]+	372.86328	178.7
[M-H]-	332.89284	175.2
[M+Na-2H]-	354.87479	179.2
[M]+	333.89957	177.7
[M]-	333.90067	177.7

Literature stripe

literature stripe

Patent stripe

patents stripe