CID 186049

Dtxsid0040337

Structural Information

Molecular Formula
C10H14NO4PS2
SMILES
CCOP(=S)(OCC)SC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H14NO4PS2/c1-3-14-16(17,15-4-2)18-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
InChIKey
CBNFNKWKGZYTCK-UHFFFAOYSA-N
Compound name
diethoxy-(4-nitrophenyl)sulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

307.0102 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.01748 159.6
[M+Na]+ 329.99942 164.9
[M-H]- 306.00292 161.8
[M+NH4]+ 325.04402 174.5
[M+K]+ 345.97336 157.1
[M+H-H2O]+ 290.00746 154.7
[M+HCOO]- 352.00840 178.6
[M+CH3COO]- 366.02405 195.5
[M+Na-2H]- 327.98487 161.9
[M]+ 307.00965 162.9
[M]- 307.01075 162.9
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.