CID 105092

Benz(l)aceanthrylene

Structural Information

Molecular Formula
C20H12
SMILES
C1=CC=C2C(=C1)C=CC3=C2C4=C5C(=CC=CC5=C3)C=C4
InChI
InChI=1S/C20H12/c1-2-7-17-13(4-1)8-9-16-12-15-6-3-5-14-10-11-18(19(14)15)20(16)17/h1-12H
InChIKey
ICRHCNSZHYPRNZ-UHFFFAOYSA-N
Compound name
pentacyclo[11.6.1.02,11.03,8.017,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

11
Patents

252.0939 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10118 155.0
[M+Na]+ 275.08312 166.5
[M-H]- 251.08662 162.5
[M+NH4]+ 270.12772 178.2
[M+K]+ 291.05706 158.9
[M+H-H2O]+ 235.09116 147.6
[M+HCOO]- 297.09210 177.0
[M+CH3COO]- 311.10775 168.7
[M+Na-2H]- 273.06857 165.0
[M]+ 252.09335 158.4
[M]- 252.09445 158.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.