CID 101801

O,o-dimethyl o-(3-nitrophenyl) phosphorothioate

Structural Information

Molecular Formula
C8H10NO5PS
SMILES
COP(=S)(OC)OC1=CC=CC(=C1)[N+](=O)[O-]
InChI
InChI=1S/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-4-7(6-8)9(10)11/h3-6H,1-2H3
InChIKey
DTOLRVVEYZNDCL-UHFFFAOYSA-N
Compound name
dimethoxy-(3-nitrophenoxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.00174 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.00902 149.9
[M+Na]+ 285.99096 156.7
[M-H]- 261.99446 153.1
[M+NH4]+ 281.03556 166.7
[M+K]+ 301.96490 151.5
[M+H-H2O]+ 245.99900 145.9
[M+HCOO]- 307.99994 175.4
[M+CH3COO]- 322.01559 186.8
[M+Na-2H]- 283.97641 155.1
[M]+ 263.00119 154.3
[M]- 263.00229 154.3
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.