CID 94838

604-66-0

Structural Information

Molecular Formula
C18H14O4
SMILES
CC(=O)OC1=C2C=CC=CC2=C(C3=CC=CC=C31)OC(=O)C
InChI
InChI=1S/C18H14O4/c1-11(19)21-17-13-7-3-5-9-15(13)18(22-12(2)20)16-10-6-4-8-14(16)17/h3-10H,1-2H3
InChIKey
RURGWVZQAKAYDM-UHFFFAOYSA-N
Compound name
(10-acetyloxyanthracen-9-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

294.0892 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.09648 164.5
[M+Na]+ 317.07842 174.1
[M-H]- 293.08192 170.6
[M+NH4]+ 312.12302 182.0
[M+K]+ 333.05236 170.8
[M+H-H2O]+ 277.08646 157.0
[M+HCOO]- 339.08740 186.1
[M+CH3COO]- 353.10305 203.9
[M+Na-2H]- 315.06387 170.7
[M]+ 294.08865 170.4
[M]- 294.08975 170.4
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