CID 119949

O,s-dimethyl o-(4-(methylthio)-m-tolyl) phosphorothioate

Structural Information

Molecular Formula
C10H15O3PS2
SMILES
CC1=C(C=CC(=C1)OP(=O)(OC)SC)SC
InChI
InChI=1S/C10H15O3PS2/c1-8-7-9(5-6-10(8)15-3)13-14(11,12-2)16-4/h5-7H,1-4H3
InChIKey
UYWDLWPAXCHVNZ-UHFFFAOYSA-N
Compound name
4-[methoxy(methylsulfanyl)phosphoryl]oxy-2-methyl-1-methylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.02002 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.02730 154.4
[M+Na]+ 301.00924 162.5
[M-H]- 277.01274 157.1
[M+NH4]+ 296.05384 172.1
[M+K]+ 316.98318 159.2
[M+H-H2O]+ 261.01728 145.8
[M+HCOO]- 323.01822 172.8
[M+CH3COO]- 337.03387 197.6
[M+Na-2H]- 298.99469 153.2
[M]+ 278.01947 162.0
[M]- 278.02057 162.0
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.