CID 4060722

2-anthracen-9-yl-(1,3)dioxolane

Structural Information

Molecular Formula
C17H14O2
SMILES
C1COC(O1)C2=C3C=CC=CC3=CC4=CC=CC=C42
InChI
InChI=1S/C17H14O2/c1-3-7-14-12(5-1)11-13-6-2-4-8-15(13)16(14)17-18-9-10-19-17/h1-8,11,17H,9-10H2
InChIKey
RDPZFVZDKKOOAA-UHFFFAOYSA-N
Compound name
2-anthracen-9-yl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.09938 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10666 152.6
[M+Na]+ 273.08860 161.9
[M-H]- 249.09210 162.7
[M+NH4]+ 268.13320 170.9
[M+K]+ 289.06254 159.4
[M+H-H2O]+ 233.09664 145.9
[M+HCOO]- 295.09758 173.5
[M+CH3COO]- 309.11323 166.3
[M+Na-2H]- 271.07405 161.0
[M]+ 250.09883 154.4
[M]- 250.09993 154.4
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