CID 483996

2-phenoxy-5-phenylthio-1h,3h-benzo[d]1,3,2-diazaphospholin-2-one

Structural Information

Molecular Formula
C18H15N2O2PS
SMILES
C1=CC=C(C=C1)OP2(=O)NC3=C(N2)C=C(C=C3)SC4=CC=CC=C4
InChI
InChI=1S/C18H15N2O2PS/c21-23(22-14-7-3-1-4-8-14)19-17-12-11-16(13-18(17)20-23)24-15-9-5-2-6-10-15/h1-13H,(H2,19,20,21)
InChIKey
QLSXYSBJLVQYPQ-UHFFFAOYSA-N
Compound name
2-phenoxy-5-phenylsulfanyl-1,3-dihydro-1,3,2lambda5-benzodiazaphosphole 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.05917 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.06645 176.0
[M+Na]+ 377.04839 184.0
[M-H]- 353.05189 180.4
[M+NH4]+ 372.09299 190.0
[M+K]+ 393.02233 177.0
[M+H-H2O]+ 337.05643 164.9
[M+HCOO]- 399.05737 195.1
[M+CH3COO]- 413.07302 185.7
[M+Na-2H]- 375.03384 176.0
[M]+ 354.05862 175.3
[M]- 354.05972 175.3
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.