CID 113205

Einecs 264-173-6

Structural Information

Molecular Formula
C19H14O3
SMILES
CC(=O)C1=C(C2=CC=CC=C2C=C1)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H14O3/c1-13(20)16-12-11-14-7-5-6-10-17(14)18(16)22-19(21)15-8-3-2-4-9-15/h2-12H,1H3
InChIKey
DPEZTQNZBJBTSI-UHFFFAOYSA-N
Compound name
(2-acetylnaphthalen-1-yl) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.0943 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.10158 165.8
[M+Na]+ 313.08352 173.2
[M-H]- 289.08702 173.4
[M+NH4]+ 308.12812 181.8
[M+K]+ 329.05746 169.2
[M+H-H2O]+ 273.09156 157.5
[M+HCOO]- 335.09250 187.2
[M+CH3COO]- 349.10815 202.6
[M+Na-2H]- 311.06897 170.5
[M]+ 290.09375 167.5
[M]- 290.09485 167.5
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.