CID 111623

9,10-diethoxyanthracene

Structural Information

Molecular Formula
C18H18O2
SMILES
CCOC1=C2C=CC=CC2=C(C3=CC=CC=C31)OCC
InChI
InChI=1S/C18H18O2/c1-3-19-17-13-9-5-7-11-15(13)18(20-4-2)16-12-8-6-10-14(16)17/h5-12H,3-4H2,1-2H3
InChIKey
GJNKQJAJXSUJBO-UHFFFAOYSA-N
Compound name
9,10-diethoxyanthracene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6361
Patents

266.13068 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13796 160.3
[M+Na]+ 289.11990 170.2
[M-H]- 265.12340 166.2
[M+NH4]+ 284.16450 179.4
[M+K]+ 305.09384 165.6
[M+H-H2O]+ 249.12794 152.7
[M+HCOO]- 311.12888 183.2
[M+CH3COO]- 325.14453 173.4
[M+Na-2H]- 287.10535 168.7
[M]+ 266.13013 166.1
[M]- 266.13123 166.1
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

No patent data available for this compound.