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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	371.009746	175.0
[M+Na]+	392.991688	178.3
[M-H]-	368.995194	180.8
[M+NH4]+	388.036293	185.1
[M+K]+	408.965628	168.1
[M+H-H2O]+	352.999730	172.9
[M+HCOO]-	415.000671	199.9
[M+CH3COO]-	429.016321	200.8
[M+Na-2H]-	390.977136	182.9
[M]+	370.00192142	175.8
[M]-	370.00301858	175.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe