CID 74514

Naphthalene-1,2,4-triyl triacetate

Structural Information

Molecular Formula
C16H14O6
SMILES
CC(=O)OC1=CC(=C(C2=CC=CC=C21)OC(=O)C)OC(=O)C
InChI
InChI=1S/C16H14O6/c1-9(17)20-14-8-15(21-10(2)18)16(22-11(3)19)13-7-5-4-6-12(13)14/h4-8H,1-3H3
InChIKey
QJECYGRWVGWSQT-UHFFFAOYSA-N
Compound name
(3,4-diacetyloxynaphthalen-1-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

302.07904 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.08632 164.6
[M+Na]+ 325.06826 176.5
[M+NH4]+ 320.11286 170.4
[M+K]+ 341.04220 172.3
[M-H]- 301.07176 164.8
[M+Na-2H]- 323.05371 168.5
[M]+ 302.07849 166.1
[M]- 302.07959 166.1
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