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]+ 279.02730 153.4
[M+Na]+ 301.00924 161.4
[M-H]- 277.01274 156.1
[M+NH4]+ 296.05384 170.9
[M+K]+ 316.98318 158.0
[M+H-H2O]+ 261.01728 145.0
[M+HCOO]- 323.01822 170.8
[M+CH3COO]- 337.03387 197.5
[M+Na-2H]- 298.99469 151.3
[M]+ 278.01947 159.8
[M]- 278.02057 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.