CID 3054571

71432-21-8

Structural Information

Molecular Formula
C13H13O2PS
SMILES
COP(=S)(C1=CC=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C13H13O2PS/c1-14-16(17,13-10-6-3-7-11-13)15-12-8-4-2-5-9-12/h2-11H,1H3
InChIKey
VBLQGEADZRJVPD-UHFFFAOYSA-N
Compound name
methoxy-phenoxy-phenyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.03738 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.04466 156.7
[M+Na]+ 287.02660 163.9
[M-H]- 263.03010 162.3
[M+NH4]+ 282.07120 174.0
[M+K]+ 303.00054 160.3
[M+H-H2O]+ 247.03464 147.1
[M+HCOO]- 309.03558 180.9
[M+CH3COO]- 323.05123 193.4
[M+Na-2H]- 285.01205 159.0
[M]+ 264.03683 160.1
[M]- 264.03793 160.1
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.