CID 13676

Fonofos

Structural Information

Molecular Formula
C10H15OPS2
SMILES
CCOP(=S)(CC)SC1=CC=CC=C1
InChI
InChI=1S/C10H15OPS2/c1-3-11-12(13,4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKey
KVGLBTYUCJYMND-UHFFFAOYSA-N
Compound name
ethoxy-ethyl-phenylsulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

89
References

17834
Patents

246.0302 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.03748 149.1
[M+Na]+ 269.01942 156.3
[M-H]- 245.02292 151.3
[M+NH4]+ 264.06402 167.8
[M+K]+ 284.99336 151.9
[M+H-H2O]+ 229.02746 140.5
[M+HCOO]- 291.02840 167.1
[M+CH3COO]- 305.04405 191.5
[M+Na-2H]- 267.00487 148.3
[M]+ 246.02965 153.3
[M]- 246.03075 153.3
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