CID 2801713

3,4-dihydro-dibenzo(c,g)phenanthrene

Structural Information

Molecular Formula
C22H16
SMILES
C1CC2=C(C3=CC=CC=C3C=C2)C4=C1C=CC5=CC=CC=C54
InChI
InChI=1S/C22H16/c1-3-7-19-15(5-1)9-11-17-13-14-18-12-10-16-6-2-4-8-20(16)22(18)21(17)19/h1-12H,13-14H2
InChIKey
AHFNMUAMYYFEGH-UHFFFAOYSA-N
Compound name
pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

280.1252 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13248 162.1
[M+Na]+ 303.11442 171.6
[M-H]- 279.11792 169.1
[M+NH4]+ 298.15902 181.6
[M+K]+ 319.08836 163.6
[M+H-H2O]+ 263.12246 152.8
[M+HCOO]- 325.12340 180.8
[M+CH3COO]- 339.13905 174.0
[M+Na-2H]- 301.09987 172.7
[M]+ 280.12465 161.7
[M]- 280.12575 161.7
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