CID 28935

Iodofenphos

Structural Information

Molecular Formula

C₈H₈Cl₂IO₃PS

SMILES

COP(=S)(OC)OC1=CC(=C(C=C1Cl)I)Cl

InChI

InChI=1S/C8H8Cl2IO3PS/c1-12-15(16,13-2)14-8-4-5(9)7(11)3-6(8)10/h3-4H,1-2H3

InChIKey

LFVLUOAHQIVABZ-UHFFFAOYSA-N

Compound name

(2,5-dichloro-4-iodophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 11
References: 19624
Patents: 411.83536 Da
Monoisotopic Mass: 5.5
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]+	412.842636	162.1
[M+Na]+	434.824578	166.0
[M-H]-	410.828084	158.9
[M+NH4]+	429.869183	175.6
[M+K]+	450.798518	167.3
[M+H-H2O]+	394.832620	152.9
[M+HCOO]-	456.833561	172.3
[M+CH3COO]-	470.849211	206.5
[M+Na-2H]-	432.810026	150.8
[M]+	411.83481142	168.9
[M]-	411.83590858	168.9

Literature stripe

literature stripe

Patent stripe

patents stripe