CID 4250935

Diphenylmethyl isocyanate

Structural Information

Molecular Formula

C₁₄H₁₁NO

SMILES

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

InChI

InChI=1S/C14H11NO/c16-11-15-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H

InChIKey

BWLKKFSDKDJGDZ-UHFFFAOYSA-N

Compound name

[isocyanato(phenyl)methyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2152
Patents: 209.08406 Da
Monoisotopic Mass: 4.4
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]+	210.09134	146.8
[M+Na]+	232.07328	161.4
[M+NH4]+	227.11788	156.1
[M+K]+	248.04722	152.8
[M-H]-	208.07678	152.5
[M+Na-2H]-	230.05873	157.9
[M]+	209.08351	150.6
[M]-	209.08461	150.6

Literature stripe

literature stripe

Patent stripe

patents stripe