CID 119949

28397-59-3

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]+ 279.027296 154.4
[M+Na]+ 301.009238 162.5
[M-H]- 277.012744 157.1
[M+NH4]+ 296.053843 172.1
[M+K]+ 316.983178 159.2
[M+H-H2O]+ 261.017280 145.8
[M+HCOO]- 323.018221 172.8
[M+CH3COO]- 337.033871 197.6
[M+Na-2H]- 298.994686 153.2
[M]+ 278.01947142 162.0
[M]- 278.02056858 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.