CID 44144853

Phosphorothioic acid, o-(3,5-dimethylphenyl) o,o-diethyl ester

Structural Information

Molecular Formula
C12H19O3PS
SMILES
CCOP(=S)(OCC)OC1=CC(=CC(=C1)C)C
InChI
InChI=1S/C12H19O3PS/c1-5-13-16(17,14-6-2)15-12-8-10(3)7-11(4)9-12/h7-9H,5-6H2,1-4H3
InChIKey
ZJSHVJWZHCTYKJ-UHFFFAOYSA-N
Compound name
(3,5-dimethylphenoxy)-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.07925 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.086526 160.5
[M+Na]+ 297.068468 168.3
[M-H]- 273.071974 163.3
[M+NH4]+ 292.113073 178.4
[M+K]+ 313.042408 166.0
[M+H-H2O]+ 257.076510 152.0
[M+HCOO]- 319.077451 183.6
[M+CH3COO]- 333.093101 199.0
[M+Na-2H]- 295.053916 160.0
[M]+ 274.07870142 168.7
[M]- 274.07979858 168.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.