CID 198308

Brn 0849737

Structural Information

Molecular Formula
C15H18ClN2O4PS
SMILES
CCOP(=S)(OCC)OC1=NN=C(C=C1)OC2=C(C=CC=C2Cl)C
InChI
InChI=1S/C15H18ClN2O4PS/c1-4-19-23(24,20-5-2)22-14-10-9-13(17-18-14)21-15-11(3)7-6-8-12(15)16/h6-10H,4-5H2,1-3H3
InChIKey
FSGVSIKOBVLADW-UHFFFAOYSA-N
Compound name
[6-(2-chloro-6-methylphenoxy)pyridazin-3-yl]oxy-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.04135 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.04863 181.8
[M+Na]+ 411.03057 190.5
[M-H]- 387.03407 185.4
[M+NH4]+ 406.07517 192.9
[M+K]+ 427.00451 186.2
[M+H-H2O]+ 371.03861 171.0
[M+HCOO]- 433.03955 198.4
[M+CH3COO]- 447.05520 215.7
[M+Na-2H]- 409.01602 181.8
[M]+ 388.04080 192.4
[M]- 388.04190 192.4
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.