CID 70959

1,3,5-trichloro-2-nitrosobenzene

Structural Information

Molecular Formula

C₆H₂Cl₃NO

SMILES

C1=C(C=C(C(=C1Cl)N=O)Cl)Cl

InChI

InChI=1S/C6H2Cl3NO/c7-3-1-4(8)6(10-11)5(9)2-3/h1-2H

InChIKey

ASVJEKOYAPBKKG-UHFFFAOYSA-N

Compound name

1,3,5-trichloro-2-nitrosobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 208.9202 Da
Monoisotopic Mass: 3.2
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]+	209.92748	134.9
[M+Na]+	231.90942	150.7
[M+NH4]+	226.95402	144.6
[M+K]+	247.88336	142.4
[M-H]-	207.91292	137.9
[M+Na-2H]-	229.89487	143.2
[M]+	208.91965	139.0
[M]-	208.92075	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe