CID 5872246

3-(9-anthryl)-2'-hydroxyacrylophenone

Structural Information

Molecular Formula
C23H16O2
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2/C=C/C(=O)C4=CC=CC=C4O
InChI
InChI=1S/C23H16O2/c24-22-12-6-5-11-21(22)23(25)14-13-20-18-9-3-1-7-16(18)15-17-8-2-4-10-19(17)20/h1-15,24H/b14-13+
InChIKey
IQBCAXKWFWUTKA-BUHFOSPRSA-N
Compound name
(E)-3-anthracen-9-yl-1-(2-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.11502 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.12230 176.4
[M+Na]+ 347.10424 185.1
[M-H]- 323.10774 183.7
[M+NH4]+ 342.14884 191.4
[M+K]+ 363.07818 177.5
[M+H-H2O]+ 307.11228 167.5
[M+HCOO]- 369.11322 196.5
[M+CH3COO]- 383.12887 187.3
[M+Na-2H]- 345.08969 182.8
[M]+ 324.11447 177.1
[M]- 324.11557 177.1
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

No patent data available for this compound.