CID 513103

3-benzyl-chroman-4-one

Structural Information

Molecular Formula
C16H14O2
SMILES
C1C(C(=O)C2=CC=CC=C2O1)CC3=CC=CC=C3
InChI
InChI=1S/C16H14O2/c17-16-13(10-12-6-2-1-3-7-12)11-18-15-9-5-4-8-14(15)16/h1-9,13H,10-11H2
InChIKey
JJBQBULNMXFPHP-UHFFFAOYSA-N
Compound name
3-benzyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

64
Patents

238.09938 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10666 151.6
[M+Na]+ 261.08860 159.0
[M-H]- 237.09210 159.5
[M+NH4]+ 256.13320 168.7
[M+K]+ 277.06254 155.8
[M+H-H2O]+ 221.09664 143.9
[M+HCOO]- 283.09758 172.0
[M+CH3COO]- 297.11323 164.2
[M+Na-2H]- 259.07405 159.1
[M]+ 238.09883 150.7
[M]- 238.09993 150.7
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