CID 3075715

198767-47-4

Structural Information

Molecular Formula
C19H14NO2PS
SMILES
C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3OP2(=S)C4=CC=CC=C4
InChI
InChI=1S/C19H14NO2PS/c21-19-17-13-7-8-14-18(17)22-23(24,16-11-5-2-6-12-16)20(19)15-9-3-1-4-10-15/h1-14H
InChIKey
MKRMHWFRLHFZHI-UHFFFAOYSA-N
Compound name
2,3-diphenyl-2-sulfanylidene-1,3,2lambda5-benzoxazaphosphinin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.04828 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.05556 177.1
[M+Na]+ 374.03750 186.0
[M-H]- 350.04100 185.8
[M+NH4]+ 369.08210 190.8
[M+K]+ 390.01144 181.0
[M+H-H2O]+ 334.04554 164.8
[M+HCOO]- 396.04648 197.1
[M+CH3COO]- 410.06213 187.9
[M+Na-2H]- 372.02295 178.8
[M]+ 351.04773 177.5
[M]- 351.04883 177.5
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.