CID 200997

Brn 1354885

Structural Information

Molecular Formula
C12H18NO5PS2
SMILES
COP(=S)(OC)OC1=CC=C(C=C1)S(=O)(=O)N2CCCC2
InChI
InChI=1S/C12H18NO5PS2/c1-16-19(20,17-2)18-11-5-7-12(8-6-11)21(14,15)13-9-3-4-10-13/h5-8H,3-4,9-10H2,1-2H3
InChIKey
VXNROYLQCMFQJO-UHFFFAOYSA-N
Compound name
dimethoxy-(4-pyrrolidin-1-ylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.0364 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.04368 173.1
[M+Na]+ 374.02562 180.3
[M+NH4]+ 369.07022 178.5
[M+K]+ 389.99956 175.5
[M-H]- 350.02912 172.4
[M+Na-2H]- 372.01107 176.1
[M]+ 351.03585 174.5
[M]- 351.03695 174.5
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.