CID 79775

1,4-diacetoxynaphthalene

Structural Information

Molecular Formula
C14H12O4
SMILES
CC(=O)OC1=CC=C(C2=CC=CC=C21)OC(=O)C
InChI
InChI=1S/C14H12O4/c1-9(15)17-13-7-8-14(18-10(2)16)12-6-4-3-5-11(12)13/h3-8H,1-2H3
InChIKey
SFAVMNCWIUOBCX-UHFFFAOYSA-N
Compound name
(4-acetyloxynaphthalen-1-yl) acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

30
Patents

244.07356 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.080836 151.1
[M+Na]+ 267.062778 159.5
[M-H]- 243.066284 156.0
[M+NH4]+ 262.107383 169.7
[M+K]+ 283.036718 157.8
[M+H-H2O]+ 227.070820 144.6
[M+HCOO]- 289.071761 173.1
[M+CH3COO]- 303.087411 193.1
[M+Na-2H]- 265.048226 156.2
[M]+ 244.07301142 155.3
[M]- 244.07410858 155.3
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