CID 37125

Sulprofos

Structural Information

Molecular Formula
C12H19O2PS3
SMILES
CCCSP(=S)(OCC)OC1=CC=C(C=C1)SC
InChI
InChI=1S/C12H19O2PS3/c1-4-10-18-15(16,13-5-2)14-11-6-8-12(17-3)9-7-11/h6-9H,4-5,10H2,1-3H3
InChIKey
JXHJNEJVUNHLKO-UHFFFAOYSA-N
Compound name
ethoxy-(4-methylsulfanylphenoxy)-propylsulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

15
References

25887
Patents

322.02847 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.03575 164.0
[M+Na]+ 345.01769 170.2
[M-H]- 321.02119 165.0
[M+NH4]+ 340.06229 179.2
[M+K]+ 360.99163 163.7
[M+H-H2O]+ 305.02573 154.4
[M+HCOO]- 367.02667 175.7
[M+CH3COO]- 381.04232 205.4
[M+Na-2H]- 343.00314 161.3
[M]+ 322.02792 169.0
[M]- 322.02902 169.0
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.