CID 165202

4242-25-5

Structural Information

Molecular Formula
C13H11O2PS
SMILES
C1C2=CC=CC=C2OP(=S)(O1)C3=CC=CC=C3
InChI
InChI=1S/C13H11O2PS/c17-16(12-7-2-1-3-8-12)14-10-11-6-4-5-9-13(11)15-16/h1-9H,10H2
InChIKey
UNVPENBCTNNBIB-UHFFFAOYSA-N
Compound name
2-phenyl-2-sulfanylidene-4H-1,3,2lambda5-benzodioxaphosphinine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.02173 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.02901 151.1
[M+Na]+ 285.01095 166.5
[M+NH4]+ 280.05555 162.8
[M+K]+ 300.98489 155.2
[M-H]- 261.01445 159.3
[M+Na-2H]- 282.99640 160.8
[M]+ 262.02118 156.5
[M]- 262.02228 156.5
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.