CID 3075712

2-phenyl-4h-1,3,2-benzoxazaphosphorin-4-one 2-sulfide

Structural Information

Molecular Formula
C13H10NO2PS
SMILES
C1=CC=C(C=C1)P2(=S)NC(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C13H10NO2PS/c15-13-11-8-4-5-9-12(11)16-17(18,14-13)10-6-2-1-3-7-10/h1-9H,(H,14,15,18)
InChIKey
UIKQQIMEJQAVGS-UHFFFAOYSA-N
Compound name
2-phenyl-2-sulfanylidene-3H-1,3,2lambda5-benzoxazaphosphinin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.017 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.02428 155.2
[M+Na]+ 298.00622 164.1
[M-H]- 274.00972 159.7
[M+NH4]+ 293.05082 171.8
[M+K]+ 313.98016 159.8
[M+H-H2O]+ 258.01426 145.5
[M+HCOO]- 320.01520 174.5
[M+CH3COO]- 334.03085 166.9
[M+Na-2H]- 295.99167 158.3
[M]+ 275.01645 154.6
[M]- 275.01755 154.6
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.