CID 23046

Fenthion oxon

Structural Information

Molecular Formula
C10H15O4PS
SMILES
CC1=C(C=CC(=C1)OP(=O)(OC)OC)SC
InChI
InChI=1S/C10H15O4PS/c1-8-7-9(5-6-10(8)16-4)14-15(11,12-2)13-3/h5-7H,1-4H3
InChIKey
ZNRZGJAHNMGWQN-UHFFFAOYSA-N
Compound name
dimethyl (3-methyl-4-methylsulfanylphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

25
Patents

262.04288 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.05016 154.2
[M+Na]+ 285.03210 162.6
[M-H]- 261.03560 157.4
[M+NH4]+ 280.07670 172.5
[M+K]+ 301.00604 161.4
[M+H-H2O]+ 245.04014 145.8
[M+HCOO]- 307.04108 178.2
[M+CH3COO]- 321.05673 195.1
[M+Na-2H]- 283.01755 155.0
[M]+ 262.04233 163.1
[M]- 262.04343 163.1
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.