CID 155643

71432-16-1

Structural Information

Molecular Formula
C13H12ClO2PS
SMILES
COP(=S)(C1=CC=CC=C1)OC2=CC=CC=C2Cl
InChI
InChI=1S/C13H12ClO2PS/c1-15-17(18,11-7-3-2-4-8-11)16-13-10-6-5-9-12(13)14/h2-10H,1H3
InChIKey
XQBMEEPFZIRZPH-UHFFFAOYSA-N
Compound name
(2-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

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.00568 160.5
[M+Na]+ 320.98762 169.4
[M-H]- 296.99112 166.7
[M+NH4]+ 316.03222 177.8
[M+K]+ 336.96156 164.2
[M+H-H2O]+ 280.99566 152.0
[M+HCOO]- 342.99660 180.2
[M+CH3COO]- 357.01225 198.2
[M+Na-2H]- 318.97307 162.1
[M]+ 297.99785 166.5
[M]- 297.99895 166.5
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.