CID 77416

S-seven

Structural Information

Molecular Formula
C14H13Cl2O2PS
SMILES
CCOP(=S)(C1=CC=CC=C1)OC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H13Cl2O2PS/c1-2-17-19(20,12-6-4-3-5-7-12)18-14-9-8-11(15)10-13(14)16/h3-10H,2H2,1H3
InChIKey
PNAAEIYEUKNTMO-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenoxy)-ethoxy-phenyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2540
Patents

345.9751 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.98238 173.4
[M+Na]+ 368.96432 188.7
[M+NH4]+ 364.00892 182.4
[M+K]+ 384.93826 178.0
[M-H]- 344.96782 177.3
[M+Na-2H]- 366.94977 181.8
[M]+ 345.97455 178.0
[M]- 345.97565 178.0
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