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

100
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 184.9
[M+Na]+ 377.11480 192.0
[M-H]- 353.11830 192.9
[M+NH4]+ 372.15940 198.8
[M+K]+ 393.08874 186.2
[M+H-H2O]+ 337.12284 175.0
[M+HCOO]- 399.12378 205.2
[M+CH3COO]- 413.13943 195.2
[M+Na-2H]- 375.10025 190.5
[M]+ 354.12503 187.8
[M]- 354.12613 187.8
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