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

literature stripe

Patent stripe

patents stripe