CID 13675

Fonofos oxon

Structural Information

Molecular Formula
C10H15O2PS
SMILES
CCOP(=O)(CC)SC1=CC=CC=C1
InChI
InChI=1S/C10H15O2PS/c1-3-12-13(11,4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKey
KKVDUJRKQVHKBU-UHFFFAOYSA-N
Compound name
[ethoxy(ethyl)phosphoryl]sulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

16
Patents

230.05304 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.06032 149.8
[M+Na]+ 253.04226 157.0
[M-H]- 229.04576 152.4
[M+NH4]+ 248.08686 169.0
[M+K]+ 269.01620 154.6
[M+H-H2O]+ 213.05030 141.5
[M+HCOO]- 275.05124 173.5
[M+CH3COO]- 289.06689 188.7
[M+Na-2H]- 251.02771 151.2
[M]+ 230.05249 155.1
[M]- 230.05359 155.1
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.