CID 9117

Benzo[ghi]perylene

Structural Information

Molecular Formula
C22H12
SMILES
C1=CC2=C3C(=C1)C4=CC=CC5=C4C6=C(C=C5)C=CC(=C36)C=C2
InChI
InChI=1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H
InChIKey
GYFAGKUZYNFMBN-UHFFFAOYSA-N
Compound name
hexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

145
References

2858
Patents

276.0939 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10118 161.4
[M+Na]+ 299.08312 171.8
[M-H]- 275.08662 167.3
[M+NH4]+ 294.12772 182.7
[M+K]+ 315.05706 164.1
[M+H-H2O]+ 259.09116 151.2
[M+HCOO]- 321.09210 179.3
[M+CH3COO]- 335.10775 173.4
[M+Na-2H]- 297.06857 175.0
[M]+ 276.09335 166.7
[M]- 276.09445 166.7
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