CID 155647

71432-20-7

Structural Information

Molecular Formula
C13H11Cl2O2PS
SMILES
COP(=S)(C1=CC=CC=C1)OC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C13H11Cl2O2PS/c1-16-18(19,13-5-3-2-4-6-13)17-12-8-10(14)7-11(15)9-12/h2-9H,1H3
InChIKey
LDQKDZDQQPPUPM-UHFFFAOYSA-N
Compound name
(3,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.95944 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.96672 169.1
[M+Na]+ 354.94866 184.5
[M+NH4]+ 349.99326 178.2
[M+K]+ 370.92260 174.1
[M-H]- 330.95216 173.0
[M+Na-2H]- 352.93411 177.7
[M]+ 331.95889 173.6
[M]- 331.95999 173.6
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.