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]+ 309.112136 169.4
[M+Na]+ 331.094078 177.3
[M-H]- 307.097584 175.0
[M+NH4]+ 326.138683 186.0
[M+K]+ 347.068018 174.3
[M+H-H2O]+ 291.102120 161.7
[M+HCOO]- 353.103061 189.6
[M+CH3COO]- 367.118711 206.5
[M+Na-2H]- 329.079526 174.6
[M]+ 308.10431142 174.6
[M]- 308.10540858 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