CID 98693

Diphenylcarbodiimide

Structural Information

Molecular Formula

C₁₃H₁₀N₂

SMILES

C1=CC=C(C=C1)N=C=NC2=CC=CC=C2

InChI

InChI=1S/C13H10N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h1-10H

InChIKey

CMESPBFFDMPSIY-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4454
Patents: 194.0844 Da
Monoisotopic Mass: 4.6
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]+	195.09168	143.1
[M+Na]+	217.07362	158.0
[M+NH4]+	212.11822	153.1
[M+K]+	233.04756	148.3
[M-H]-	193.07712	150.3
[M+Na-2H]-	215.05907	155.4
[M]+	194.08385	147.3
[M]-	194.08495	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe