CID 38201

Bis-methylparathion [czech]

Structural Information

Molecular Formula
C13H11N2O7PS
SMILES
COP(=S)(OC1=CC=C(C=C1)[N+](=O)[O-])OC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H11N2O7PS/c1-20-23(24,21-12-6-2-10(3-7-12)14(16)17)22-13-8-4-11(5-9-13)15(18)19/h2-9H,1H3
InChIKey
AQAXQJMWHPFBPU-UHFFFAOYSA-N
Compound name
methoxy-bis(4-nitrophenoxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.00247 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.00975 175.0
[M+Na]+ 392.99169 178.3
[M-H]- 368.99519 180.8
[M+NH4]+ 388.03629 185.1
[M+K]+ 408.96563 168.1
[M+H-H2O]+ 352.99973 172.9
[M+HCOO]- 415.00067 199.9
[M+CH3COO]- 429.01632 200.8
[M+Na-2H]- 390.97714 182.9
[M]+ 370.00192 175.8
[M]- 370.00302 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

patents stripe