CID 76286

Bayer 29491

Structural Information

Molecular Formula
C9H12ClO3PS2
SMILES
COP(=S)(OC)OC1=CC(=C(C=C1)SC)Cl
InChI
InChI=1S/C9H12ClO3PS2/c1-11-14(15,12-2)13-7-4-5-9(16-3)8(10)6-7/h4-6H,1-3H3
InChIKey
UURQFDKUFRQVHT-UHFFFAOYSA-N
Compound name
(3-chloro-4-methylsulfanylphenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.9654 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.97268 153.4
[M+Na]+ 320.95462 162.6
[M-H]- 296.95812 156.7
[M+NH4]+ 315.99922 171.3
[M+K]+ 336.92856 157.9
[M+H-H2O]+ 280.96266 146.3
[M+HCOO]- 342.96360 167.8
[M+CH3COO]- 356.97925 198.2
[M+Na-2H]- 318.94007 152.7
[M]+ 297.96485 162.5
[M]- 297.96595 162.5
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.