CID 3016979

55592-99-9

Structural Information

Molecular Formula

C₁₄H₁₁ClN₂O₂

SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)COC(=O)Cl

InChI

InChI=1S/C14H11ClN2O2/c15-14(18)19-10-11-6-8-13(9-7-11)17-16-12-4-2-1-3-5-12/h1-9H,10H2

InChIKey

SBPAKMOTHPSGDZ-UHFFFAOYSA-N

Compound name

(4-phenyldiazenylphenyl)methyl carbonochloridate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 274.0509 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]+	275.058176	159.7
[M+Na]+	297.040118	167.4
[M-H]-	273.043624	168.9
[M+NH4]+	292.084723	177.1
[M+K]+	313.014058	163.7
[M+H-H2O]+	257.048160	151.7
[M+HCOO]-	319.049101	184.3
[M+CH3COO]-	333.064751	203.7
[M+Na-2H]-	295.025566	166.8
[M]+	274.05035142	164.3
[M]-	274.05144858	164.3

Literature stripe

literature stripe

Patent stripe

patents stripe