CID 245028

9,10-dihydro-9,10-ethanoanthracene-11-carboxaldehyde

Structural Information

Molecular Formula
C17H14O
SMILES
C1C(C2C3=CC=CC=C3C1C4=CC=CC=C24)C=O
InChI
InChI=1S/C17H14O/c18-10-11-9-16-12-5-1-3-7-14(12)17(11)15-8-4-2-6-13(15)16/h1-8,10-11,16-17H,9H2
InChIKey
ZTXNTRMWAYPWEF-UHFFFAOYSA-N
Compound name
tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

234.10446 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.11174 148.4
[M+Na]+ 257.09368 154.6
[M-H]- 233.09718 151.0
[M+NH4]+ 252.13828 170.8
[M+K]+ 273.06762 149.4
[M+H-H2O]+ 217.10172 140.5
[M+HCOO]- 279.10266 162.5
[M+CH3COO]- 293.11831 159.6
[M+Na-2H]- 255.07913 159.2
[M]+ 234.10391 150.1
[M]- 234.10501 150.1
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

patents stripe