CID 380624

Nsc666299

Structural Information

Molecular Formula
C19H16O4
SMILES
CC(=O)OC(C1=C2C=CC=CC2=CC3=CC=CC=C31)OC(=O)C
InChI
InChI=1S/C19H16O4/c1-12(20)22-19(23-13(2)21)18-16-9-5-3-7-14(16)11-15-8-4-6-10-17(15)18/h3-11,19H,1-2H3
InChIKey
BSHMOJFTLGSXPF-UHFFFAOYSA-N
Compound name
[acetyloxy(anthracen-9-yl)methyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

308.10486 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.11214 169.4
[M+Na]+ 331.09408 177.3
[M-H]- 307.09758 175.0
[M+NH4]+ 326.13868 186.0
[M+K]+ 347.06802 174.3
[M+H-H2O]+ 291.10212 161.7
[M+HCOO]- 353.10306 189.6
[M+CH3COO]- 367.11871 206.5
[M+Na-2H]- 329.07953 174.6
[M]+ 308.10431 174.6
[M]- 308.10541 174.6
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