CID 13747

Carbodiimide, bis(3-chloro-o-tolyl)-

Structural Information

Molecular Formula

C₁₅H₁₂Cl₂N₂

SMILES

CC1=C(C=CC=C1Cl)N=C=NC2=C(C(=CC=C2)Cl)C

InChI

InChI=1S/C15H12Cl2N2/c1-10-12(16)5-3-7-14(10)18-9-19-15-8-4-6-13(17)11(15)2/h3-8H,1-2H3

InChIKey

OVBDZHWZFKZWPJ-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 290.03775 Da
Monoisotopic Mass: 6.5
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]+	291.04503	166.0
[M+Na]+	313.02697	177.0
[M-H]-	289.03047	175.0
[M+NH4]+	308.07157	184.3
[M+K]+	329.00091	170.1
[M+H-H2O]+	273.03501	159.4
[M+HCOO]-	335.03595	185.5
[M+CH3COO]-	349.05160	209.5
[M+Na-2H]-	311.01242	170.5
[M]+	290.03720	171.2
[M]-	290.03830	171.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe