CID 66128

55-37-8

Structural Information

Molecular Formula

C₁₁H₁₇O₃PS₂

SMILES

CC1=CC(=CC(=C1SC)C)OP(=S)(OC)OC

InChI

InChI=1S/C11H17O3PS2/c1-8-6-10(7-9(2)11(8)17-5)14-15(16,12-3)13-4/h6-7H,1-5H3

InChIKey

QJRJJAATXDHPGQ-UHFFFAOYSA-N

Compound name

(3,5-dimethyl-4-methylsulfanylphenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 292.03568 Da
Monoisotopic Mass: 4.6
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]+	293.042956	157.8
[M+Na]+	315.024898	166.2
[M-H]-	291.028404	160.6
[M+NH4]+	310.069503	175.1
[M+K]+	330.998838	162.6
[M+H-H2O]+	275.032940	149.2
[M+HCOO]-	337.033881	175.7
[M+CH3COO]-	351.049531	201.7
[M+Na-2H]-	313.010346	155.6
[M]+	292.03513142	166.1
[M]-	292.03622858	166.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe