CID 204084

S-(6-chloro-3,4-dihydro-2h-1-benzothiopyran-4-yl) o,o-dimethyl phosphorodithioate

Structural Information

Molecular Formula
C11H14ClO2PS3
SMILES
COP(=S)(OC)SC1CCSC2=C1C=C(C=C2)Cl
InChI
InChI=1S/C11H14ClO2PS3/c1-13-15(16,14-2)18-11-5-6-17-10-4-3-8(12)7-9(10)11/h3-4,7,11H,5-6H2,1-2H3
InChIKey
UHLKOAKPRBMJRU-UHFFFAOYSA-N
Compound name
(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)sulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.95822 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.96550 159.4
[M+Na]+ 362.94744 166.7
[M-H]- 338.95094 161.6
[M+NH4]+ 357.99204 176.0
[M+K]+ 378.92138 160.1
[M+H-H2O]+ 322.95548 152.6
[M+HCOO]- 384.95642 164.8
[M+CH3COO]- 398.97207 205.3
[M+Na-2H]- 360.93289 159.3
[M]+ 339.95767 163.1
[M]- 339.95877 163.1
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.