CID 205532

Bayer 50536

Structural Information

Molecular Formula
C11H16ClO2PS2
SMILES
CCOP(=S)(OCC)SC1=CC(=C(C=C1)Cl)C
InChI
InChI=1S/C11H16ClO2PS2/c1-4-13-15(16,14-5-2)17-10-6-7-11(12)9(3)8-10/h6-8H,4-5H2,1-3H3
InChIKey
HTIIPZOLMCOBIW-UHFFFAOYSA-N
Compound name
(4-chloro-3-methylphenyl)sulfanyl-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.0018 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.00908 159.2
[M+Na]+ 332.99102 167.7
[M-H]- 308.99452 162.1
[M+NH4]+ 328.03562 176.7
[M+K]+ 348.96496 162.1
[M+H-H2O]+ 292.99906 151.8
[M+HCOO]- 355.00000 172.6
[M+CH3COO]- 369.01565 202.1
[M+Na-2H]- 330.97647 157.2
[M]+ 310.00125 167.5
[M]- 310.00235 167.5
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.