CID 355688

3-benzylchromone

Structural Information

Molecular Formula
C16H12O2
SMILES
C1=CC=C(C=C1)CC2=COC3=CC=CC=C3C2=O
InChI
InChI=1S/C16H12O2/c17-16-13(10-12-6-2-1-3-7-12)11-18-15-9-5-4-8-14(15)16/h1-9,11H,10H2
InChIKey
BFJYQLLNETVOKQ-UHFFFAOYSA-N
Compound name
3-benzylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

236.08372 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.09100 149.8
[M+Na]+ 259.07294 159.3
[M-H]- 235.07644 158.5
[M+NH4]+ 254.11754 167.2
[M+K]+ 275.04688 155.8
[M+H-H2O]+ 219.08098 142.1
[M+HCOO]- 281.08192 173.0
[M+CH3COO]- 295.09757 163.5
[M+Na-2H]- 257.05839 159.2
[M]+ 236.08317 151.8
[M]- 236.08427 151.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.