CID 6364799

(e)-3-benzylidene-4-chromanone

Structural Information

Molecular Formula
C16H12O2
SMILES
C1/C(=C\C2=CC=CC=C2)/C(=O)C3=CC=CC=C3O1
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/h1-10H,11H2/b13-10+
InChIKey
TXRPREROCFYGHX-JLHYYAGUSA-N
Compound name
(3E)-3-benzylidenechromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

28
Patents

236.08372 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.09100 151.7
[M+Na]+ 259.07294 167.8
[M+NH4]+ 254.11754 161.5
[M+K]+ 275.04688 159.0
[M-H]- 235.07644 158.6
[M+Na-2H]- 257.05839 160.7
[M]+ 236.08317 156.1
[M]- 236.08427 156.1
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