CID 754332

(e)-2-styrylchromone

Structural Information

Molecular Formula
C17H12O2
SMILES
C1=CC=C(C=C1)/C=C/C2=CC(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C17H12O2/c18-16-12-14(11-10-13-6-2-1-3-7-13)19-17-9-5-4-8-15(16)17/h1-12H/b11-10+
InChIKey
LSTAHPMLLDYWKN-ZHACJKMWSA-N
Compound name
2-[(E)-2-phenylethenyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

20
Patents

248.08372 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.09100 153.6
[M+Na]+ 271.07294 163.0
[M-H]- 247.07644 162.2
[M+NH4]+ 266.11754 170.5
[M+K]+ 287.04688 158.7
[M+H-H2O]+ 231.08098 145.8
[M+HCOO]- 293.08192 176.7
[M+CH3COO]- 307.09757 167.0
[M+Na-2H]- 269.05839 162.5
[M]+ 248.08317 155.1
[M]- 248.08427 155.1
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.