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]+ 264.009016 149.9
[M+Na]+ 285.990958 156.7
[M-H]- 261.994464 153.1
[M+NH4]+ 281.035563 166.7
[M+K]+ 301.964898 151.5
[M+H-H2O]+ 245.999000 145.9
[M+HCOO]- 307.999941 175.4
[M+CH3COO]- 322.015591 186.8
[M+Na-2H]- 283.976406 155.1
[M]+ 263.00119142 154.3
[M]- 263.00228858 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.