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

22
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 163.7
[M+Na]+ 325.06826 171.8
[M-H]- 301.07176 168.7
[M+NH4]+ 320.11286 179.9
[M+K]+ 341.04220 171.1
[M+H-H2O]+ 285.07630 156.9
[M+HCOO]- 347.07724 184.6
[M+CH3COO]- 361.09289 204.1
[M+Na-2H]- 323.05371 166.2
[M]+ 302.07849 170.5
[M]- 302.07959 170.5
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