CID 211126

22360-47-0

Structural Information

Molecular Formula
C15H12O2
SMILES
C1C2=CC=CC=C2C(OC1=O)C3=CC=CC=C3
InChI
InChI=1S/C15H12O2/c16-14-10-12-8-4-5-9-13(12)15(17-14)11-6-2-1-3-7-11/h1-9,15H,10H2
InChIKey
PIXDKMMAYYXXGM-UHFFFAOYSA-N
Compound name
1-phenyl-1,4-dihydroisochromen-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

224.08372 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.09100 146.8
[M+Na]+ 247.07294 154.6
[M-H]- 223.07644 155.0
[M+NH4]+ 242.11754 164.5
[M+K]+ 263.04688 151.8
[M+H-H2O]+ 207.08098 139.4
[M+HCOO]- 269.08192 167.6
[M+CH3COO]- 283.09757 159.9
[M+Na-2H]- 245.05839 154.9
[M]+ 224.08317 145.6
[M]- 224.08427 145.6
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

patents stripe