CID 81037

Bayer 48772

Structural Information

Molecular Formula
C10H15O3PS2
SMILES
CC1=C(C=CC(=C1)OP(=S)(C)OC)S(=O)C
InChI
InChI=1S/C10H15O3PS2/c1-8-7-9(13-14(3,15)12-2)5-6-10(8)16(4)11/h5-7H,1-4H3
InChIKey
DHPHGWYFHFFKAH-UHFFFAOYSA-N
Compound name
methoxy-methyl-(3-methyl-4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.02002 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.027296 153.4
[M+Na]+ 301.009238 161.4
[M-H]- 277.012744 156.1
[M+NH4]+ 296.053843 170.9
[M+K]+ 316.983178 158.0
[M+H-H2O]+ 261.017280 145.0
[M+HCOO]- 323.018221 170.8
[M+CH3COO]- 337.033871 197.5
[M+Na-2H]- 298.994686 151.3
[M]+ 278.01947142 159.8
[M]- 278.02056858 159.8
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.