CID 155645

O-(4-chlorophenyl) o-methyl phenylphosphonothioate

Structural Information

Molecular Formula
C13H12ClO2PS
SMILES
COP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H12ClO2PS/c1-15-17(18,13-5-3-2-4-6-13)16-12-9-7-11(14)8-10-12/h2-10H,1H3
InChIKey
HRLFUMAJGQUMMI-UHFFFAOYSA-N
Compound name
(4-chlorophenoxy)-methoxy-phenyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.9984 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.00568 162.0
[M+Na]+ 320.98762 176.7
[M+NH4]+ 316.03222 171.2
[M+K]+ 336.96156 166.8
[M-H]- 296.99112 166.1
[M+Na-2H]- 318.97307 171.1
[M]+ 297.99785 166.2
[M]- 297.99895 166.2
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.