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

1
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

patents stripe