CID 3075714

198767-46-3

Structural Information

Molecular Formula
C15H14NO2PS
SMILES
CCN1C(=O)C2=CC=CC=C2OP1(=S)C3=CC=CC=C3
InChI
InChI=1S/C15H14NO2PS/c1-2-16-15(17)13-10-6-7-11-14(13)18-19(16,20)12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChIKey
XEHNVPKEBQCTLE-UHFFFAOYSA-N
Compound name
3-ethyl-2-phenyl-2-sulfanylidene-1,3,2lambda5-benzoxazaphosphinin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.04828 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.05556 163.7
[M+Na]+ 326.03750 178.8
[M+NH4]+ 321.08210 174.0
[M+K]+ 342.01144 167.2
[M-H]- 302.04100 169.5
[M+Na-2H]- 324.02295 172.4
[M]+ 303.04773 168.3
[M]- 303.04883 168.3
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.