CID 210834

3'-phenylspiro(2h-1-benzopyran-3(4h),2'-oxiran)-4-one

Structural Information

Molecular Formula
C16H12O3
SMILES
C1C2(C(O2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4O1
InChI
InChI=1S/C16H12O3/c17-14-12-8-4-5-9-13(12)18-10-16(14)15(19-16)11-6-2-1-3-7-11/h1-9,15H,10H2
InChIKey
HVDVEAXOLCCDGZ-UHFFFAOYSA-N
Compound name
3'-phenylspiro[2H-chromene-3,2'-oxirane]-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.07864 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.08592 158.9
[M+Na]+ 275.06786 176.7
[M+NH4]+ 270.11246 170.8
[M+K]+ 291.04180 168.3
[M-H]- 251.07136 174.6
[M+Na-2H]- 273.05331 170.9
[M]+ 252.07809 167.6
[M]- 252.07919 167.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.