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: 4598
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	140.1
[M+Na]+	217.07362	147.1
[M-H]-	193.07712	149.3
[M+NH4]+	212.11822	159.8
[M+K]+	233.04756	143.9
[M+H-H2O]+	177.08166	131.9
[M+HCOO]-	239.08260	170.3
[M+CH3COO]-	253.09825	191.0
[M+Na-2H]-	215.05907	150.5
[M]+	194.08385	139.6
[M]-	194.08495	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe