CID 67468

11h-indeno[2,1-a]phenanthrene

Structural Information

Molecular Formula
C21H14
SMILES
C1C2=CC=CC=C2C3=C1C4=C(C=C3)C5=CC=CC=C5C=C4
InChI
InChI=1S/C21H14/c1-3-7-16-14(5-1)9-10-20-18(16)11-12-19-17-8-4-2-6-15(17)13-21(19)20/h1-12H,13H2
InChIKey
JPAMAQWNSMPRLT-UHFFFAOYSA-N
Compound name
11H-indeno[2,1-a]phenanthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

266.10956 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.116836 159.3
[M+Na]+ 289.098778 170.5
[M-H]- 265.102284 167.2
[M+NH4]+ 284.143383 181.6
[M+K]+ 305.072718 162.5
[M+H-H2O]+ 249.106820 151.7
[M+HCOO]- 311.107761 180.8
[M+CH3COO]- 325.123411 172.5
[M+Na-2H]- 287.084226 168.3
[M]+ 266.10901142 161.1
[M]- 266.11010858 161.1
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