CID 77416

Brn 2948113

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

2604
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 168.5
[M+Na]+ 368.96432 178.2
[M-H]- 344.96782 174.5
[M+NH4]+ 364.00892 184.7
[M+K]+ 384.93826 171.7
[M+H-H2O]+ 328.97236 160.9
[M+HCOO]- 390.97330 182.9
[M+CH3COO]- 404.98895 206.5
[M+Na-2H]- 366.94977 168.7
[M]+ 345.97455 176.4
[M]- 345.97565 176.4
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

patents stripe