CID 79914

Azothoate

Structural Information

Molecular Formula

C₁₄H₁₄ClN₂O₃PS

SMILES

COP(=S)(OC)OC1=CC=C(C=C1)N=NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H14ClN2O3PS/c1-18-21(22,19-2)20-14-9-7-13(8-10-14)17-16-12-5-3-11(15)4-6-12/h3-10H,1-2H3

InChIKey

DCEAEHHJGXAROU-UHFFFAOYSA-N

Compound name

(4-chlorophenyl)-(4-dimethoxyphosphinothioyloxyphenyl)diazene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4405
Patents: 356.01514 Da
Monoisotopic Mass: 5.4
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]+	357.02242	176.8
[M+Na]+	379.00436	189.6
[M+NH4]+	374.04896	184.5
[M+K]+	394.97830	180.3
[M-H]-	355.00786	181.5
[M+Na-2H]-	376.98981	185.5
[M]+	356.01459	180.7
[M]-	356.01569	180.7

Literature stripe

literature stripe

Patent stripe

patents stripe