CID 275896

5,10-dihydro-indeno(2,1-a)indene

Structural Information

Molecular Formula
C16H12
SMILES
C1C2=CC=CC=C2C3=C1C4=CC=CC=C4C3
InChI
InChI=1S/C16H12/c1-3-7-13-11(5-1)9-15-14-8-4-2-6-12(14)10-16(13)15/h1-8H,9-10H2
InChIKey
NTKABUUDQHBJCL-UHFFFAOYSA-N
Compound name
5,10-dihydroindeno[2,1-a]indene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

39
Patents

204.0939 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.101176 144.5
[M+Na]+ 227.083118 154.9
[M-H]- 203.086624 151.7
[M+NH4]+ 222.127723 170.5
[M+K]+ 243.057058 149.2
[M+H-H2O]+ 187.091160 139.2
[M+HCOO]- 249.092101 167.9
[M+CH3COO]- 263.107751 159.0
[M+Na-2H]- 225.068566 150.6
[M]+ 204.09335142 145.5
[M]- 204.09444858 145.5
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