CID 81681

7260-35-7

Structural Information

Molecular Formula
C10H13Cl2O2PS
SMILES
CCOP(=S)(CC)OC1=C(C=CC(=C1)Cl)Cl
InChI
InChI=1S/C10H13Cl2O2PS/c1-3-13-15(16,4-2)14-10-7-8(11)5-6-9(10)12/h5-7H,3-4H2,1-2H3
InChIKey
SYUMSSZKKFACFR-UHFFFAOYSA-N
Compound name
(2,5-dichlorophenoxy)-ethoxy-ethyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.9751 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.98238 156.2
[M+Na]+ 320.96432 166.2
[M-H]- 296.96782 159.4
[M+NH4]+ 316.00892 174.7
[M+K]+ 336.93826 160.7
[M+H-H2O]+ 280.97236 150.3
[M+HCOO]- 342.97330 170.4
[M+CH3COO]- 356.98895 199.1
[M+Na-2H]- 318.94977 156.0
[M]+ 297.97455 165.1
[M]- 297.97565 165.1
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.