CID 3075713

198767-45-2

Structural Information

Molecular Formula
C14H12NO2PS
SMILES
CN1C(=O)C2=CC=CC=C2OP1(=S)C3=CC=CC=C3
InChI
InChI=1S/C14H12NO2PS/c1-15-14(16)12-9-5-6-10-13(12)17-18(15,19)11-7-3-2-4-8-11/h2-10H,1H3
InChIKey
VTARSNLEVMUMIK-UHFFFAOYSA-N
Compound name
3-methyl-2-phenyl-2-sulfanylidene-1,3,2lambda5-benzoxazaphosphinin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.03262 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.03990 158.8
[M+Na]+ 312.02184 168.5
[M-H]- 288.02534 165.0
[M+NH4]+ 307.06644 175.9
[M+K]+ 327.99578 165.0
[M+H-H2O]+ 272.02988 148.7
[M+HCOO]- 334.03082 179.3
[M+CH3COO]- 348.04647 171.1
[M+Na-2H]- 310.00729 161.1
[M]+ 289.03207 160.7
[M]- 289.03317 160.7
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.