CID 78758

5075-13-8

Structural Information

Molecular Formula

C₈H₁₀ClOPS

SMILES

CCOP(=S)(C1=CC=CC=C1)Cl

InChI

InChI=1S/C8H10ClOPS/c1-2-10-11(9,12)8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChIKey

FVIHUXZNJJCGPC-UHFFFAOYSA-N

Compound name

chloro-ethoxy-phenyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 12
Patents: 219.98785 Da
Monoisotopic Mass: 3.9
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]+	220.99513	141.4
[M+Na]+	242.97707	150.4
[M-H]-	218.98057	144.5
[M+NH4]+	238.02167	162.1
[M+K]+	258.95101	146.1
[M+H-H2O]+	202.98511	134.7
[M+HCOO]-	264.98605	161.0
[M+CH3COO]-	279.00170	184.5
[M+Na-2H]-	240.96252	143.4
[M]+	219.98730	146.5
[M]-	219.98840	146.5

Literature stripe

literature stripe

Patent stripe

patents stripe