CID 24136

Bis-parathion

Structural Information

Molecular Formula
C14H13N2O7PS
SMILES
CCOP(=S)(OC1=CC=C(C=C1)[N+](=O)[O-])OC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H13N2O7PS/c1-2-21-24(25,22-13-7-3-11(4-8-13)15(17)18)23-14-9-5-12(6-10-14)16(19)20/h3-10H,2H2,1H3
InChIKey
SPAIIFJILQXFKL-UHFFFAOYSA-N
Compound name
ethoxy-bis(4-nitrophenoxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

384.0181 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.02538 186.9
[M+Na]+ 407.00732 193.2
[M+NH4]+ 402.05192 196.1
[M+K]+ 422.98126 201.8
[M-H]- 383.01082 184.4
[M+Na-2H]- 404.99277 185.7
[M]+ 384.01755 189.5
[M]- 384.01865 189.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.