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 153.0
[M+Na]+ 285.01095 161.5
[M-H]- 261.01445 160.8
[M+NH4]+ 280.05555 170.8
[M+K]+ 300.98489 160.0
[M+H-H2O]+ 245.01899 143.8
[M+HCOO]- 307.01993 174.2
[M+CH3COO]- 321.03558 165.8
[M+Na-2H]- 282.99640 157.7
[M]+ 262.02118 154.5
[M]- 262.02228 154.5
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.