CID 113206

63450-45-3

Structural Information

Molecular Formula
C19H14O3
SMILES
C1=CC=C(C=C1)C(=O)CC(=O)C2=C(C3=CC=CC=C3C=C2)O
InChI
InChI=1S/C19H14O3/c20-17(14-7-2-1-3-8-14)12-18(21)16-11-10-13-6-4-5-9-15(13)19(16)22/h1-11,22H,12H2
InChIKey
SIVIDNLTOXSUIX-UHFFFAOYSA-N
Compound name
1-(1-hydroxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

290.0943 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.101576 165.7
[M+Na]+ 313.083518 172.6
[M-H]- 289.087024 171.9
[M+NH4]+ 308.128123 180.9
[M+K]+ 329.057458 167.7
[M+H-H2O]+ 273.091560 157.8
[M+HCOO]- 335.092501 185.5
[M+CH3COO]- 349.108151 200.9
[M+Na-2H]- 311.068966 170.0
[M]+ 290.09375142 165.7
[M]- 290.09484858 165.7
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