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 163.4
[M+Na]+ 326.03750 172.6
[M-H]- 302.04100 169.3
[M+NH4]+ 321.08210 179.9
[M+K]+ 342.01144 168.9
[M+H-H2O]+ 286.04554 153.1
[M+HCOO]- 348.04648 183.5
[M+CH3COO]- 362.06213 202.1
[M+Na-2H]- 324.02295 165.2
[M]+ 303.04773 165.6
[M]- 303.04883 165.6
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.