CID 3050972

67205-72-5

Structural Information

Molecular Formula

C₁₀H₄Cl₃N₃O₂

SMILES

CNC(=O)OC1=C(C(=C(C(=C1Cl)Cl)C#N)Cl)C#N

InChI

InChI=1S/C10H4Cl3N3O2/c1-16-10(17)18-9-5(3-15)6(11)4(2-14)7(12)8(9)13/h1H3,(H,16,17)

InChIKey

ABXIMARDIPOILJ-UHFFFAOYSA-N

Compound name

(2,3,5-trichloro-4,6-dicyanophenyl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 302.93692 Da
Monoisotopic Mass: 2.8
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]+	303.94420	165.8
[M+Na]+	325.92614	178.4
[M-H]-	301.92964	169.1
[M+NH4]+	320.97074	177.3
[M+K]+	341.90008	173.0
[M+H-H2O]+	285.93418	154.1
[M+HCOO]-	347.93512	170.1
[M+CH3COO]-	361.95077	228.1
[M+Na-2H]-	323.91159	165.4
[M]+	302.93637	161.8
[M]-	302.93747	161.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.