CID 3068999

Brn 5612303

Structural Information

Molecular Formula
C10H12Cl2NO5PS
SMILES
CCOP(=S)(OCC)OC1=C(C=C(C(=C1)[N+](=O)[O-])Cl)Cl
InChI
InChI=1S/C10H12Cl2NO5PS/c1-3-16-19(20,17-4-2)18-10-6-9(13(14)15)7(11)5-8(10)12/h5-6H,3-4H2,1-2H3
InChIKey
BEIVXARPXIPOLT-UHFFFAOYSA-N
Compound name
(2,4-dichloro-5-nitrophenoxy)-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.95508 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.96236 167.1
[M+Na]+ 381.94430 175.0
[M-H]- 357.94780 170.2
[M+NH4]+ 376.98890 181.9
[M+K]+ 397.91824 167.0
[M+H-H2O]+ 341.95234 165.7
[M+HCOO]- 403.95328 182.4
[M+CH3COO]- 417.96893 203.3
[M+Na-2H]- 379.92975 169.6
[M]+ 358.95453 175.8
[M]- 358.95563 175.8
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.