CID 96862

5,12-dihydrotetracene

Structural Information

Molecular Formula
C18H14
SMILES
C1C2=CC=CC=C2CC3=CC4=CC=CC=C4C=C31
InChI
InChI=1S/C18H14/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-10H,11-12H2
InChIKey
WSXODQAKLVVOCS-UHFFFAOYSA-N
Compound name
5,12-dihydrotetracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

230.10954 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11682 148.8
[M+Na]+ 253.09876 157.2
[M-H]- 229.10226 154.8
[M+NH4]+ 248.14336 169.6
[M+K]+ 269.07270 150.9
[M+H-H2O]+ 213.10680 141.1
[M+HCOO]- 275.10774 168.2
[M+CH3COO]- 289.12339 161.3
[M+Na-2H]- 251.08421 158.9
[M]+ 230.10899 147.0
[M]- 230.11009 147.0
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