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 173.9
[M+Na]+ 374.02562 180.1
[M-H]- 350.02912 177.6
[M+NH4]+ 369.07022 188.2
[M+K]+ 389.99956 177.5
[M+H-H2O]+ 334.03366 165.0
[M+HCOO]- 396.03460 189.6
[M+CH3COO]- 410.05025 204.1
[M+Na-2H]- 372.01107 173.2
[M]+ 351.03585 178.7
[M]- 351.03695 178.7
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.