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]+ 253.085916 155.1
[M+Na]+ 275.067858 165.9
[M-H]- 251.071364 167.0
[M+NH4]+ 270.112463 168.0
[M+K]+ 291.041798 165.4
[M+H-H2O]+ 235.075900 147.4
[M+HCOO]- 297.076841 174.4
[M+CH3COO]- 311.092491 168.2
[M+Na-2H]- 273.053306 164.7
[M]+ 252.07809142 158.5
[M]- 252.07918858 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.