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 159.3
[M+Na]+ 312.02184 174.7
[M+NH4]+ 307.06644 169.9
[M+K]+ 327.99578 163.3
[M-H]- 288.02534 165.2
[M+Na-2H]- 310.00729 168.3
[M]+ 289.03207 164.0
[M]- 289.03317 164.0
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.