CID 204083

S-(3,4-dihydro-2h-1-benzothiopyran-4-yl) o,o-dimethyl phosphorodithioate

Structural Information

Molecular Formula
C11H15O2PS3
SMILES
COP(=S)(OC)SC1CCSC2=CC=CC=C12
InChI
InChI=1S/C11H15O2PS3/c1-12-14(15,13-2)17-11-7-8-16-10-6-4-3-5-9(10)11/h3-6,11H,7-8H2,1-2H3
InChIKey
MZRQXRJEBTWYFB-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-thiochromen-4-ylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.9972 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.00448 156.2
[M+Na]+ 328.98642 162.4
[M-H]- 304.98992 157.5
[M+NH4]+ 324.03102 172.9
[M+K]+ 344.96036 156.8
[M+H-H2O]+ 288.99446 147.9
[M+HCOO]- 350.99540 165.9
[M+CH3COO]- 365.01105 200.8
[M+Na-2H]- 326.97187 156.5
[M]+ 305.99665 157.8
[M]- 305.99775 157.8
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.