CID 223053

1-naphthaleneacetic anhydride

Structural Information

Molecular Formula
C24H18O3
SMILES
C1=CC=C2C(=C1)C=CC=C2CC(=O)OC(=O)CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C24H18O3/c25-23(15-19-11-5-9-17-7-1-3-13-21(17)19)27-24(26)16-20-12-6-10-18-8-2-4-14-22(18)20/h1-14H,15-16H2
InChIKey
ACONQQKANQRXQN-UHFFFAOYSA-N
Compound name
(2-naphthalen-1-ylacetyl) 2-naphthalen-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

354.12558 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.13286 183.7
[M+Na]+ 377.11480 201.2
[M+NH4]+ 372.15940 192.8
[M+K]+ 393.08874 191.0
[M-H]- 353.11830 189.9
[M+Na-2H]- 375.10025 193.8
[M]+ 354.12503 188.3
[M]- 354.12613 188.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe