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

22729
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

literature stripe

Patent stripe

patents stripe