CID 53074

1,3,5,2-dioxaphosphaborinane, 2,5-diphenyl-, 5-sulfide

Structural Information

Molecular Formula
C14H14BO2PS
SMILES
B1(OCP(=S)(CO1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C14H14BO2PS/c19-18(14-9-5-2-6-10-14)11-16-15(17-12-18)13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKey
XGDDOWGFMKZYEN-UHFFFAOYSA-N
Compound name
2,5-diphenyl-5-sulfanylidene-1,3,5lambda5,2-dioxaphosphaborinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.0545 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.06178 161.0
[M+Na]+ 311.04372 167.7
[M-H]- 287.04722 170.5
[M+NH4]+ 306.08832 176.4
[M+K]+ 327.01766 166.0
[M+H-H2O]+ 271.05176 150.9
[M+HCOO]- 333.05270 181.9
[M+CH3COO]- 347.06835 172.9
[M+Na-2H]- 309.02917 163.1
[M]+ 288.05395 160.3
[M]- 288.05505 160.3
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.