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 155.1
[M+Na]+ 275.06786 165.9
[M-H]- 251.07136 167.0
[M+NH4]+ 270.11246 168.0
[M+K]+ 291.04180 165.4
[M+H-H2O]+ 235.07590 147.4
[M+HCOO]- 297.07684 174.4
[M+CH3COO]- 311.09249 168.2
[M+Na-2H]- 273.05331 164.7
[M]+ 252.07809 158.5
[M]- 252.07919 158.5
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.