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
3
Annotation Hits

0
References

6401
Patents

266.13068 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.137956 160.3
[M+Na]+ 289.119898 170.2
[M-H]- 265.123404 166.2
[M+NH4]+ 284.164503 179.4
[M+K]+ 305.093838 165.6
[M+H-H2O]+ 249.127940 152.7
[M+HCOO]- 311.128881 183.2
[M+CH3COO]- 325.144531 173.4
[M+Na-2H]- 287.105346 168.7
[M]+ 266.13013142 166.1
[M]- 266.13122858 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

literature stripe

Patent stripe

patents stripe