CID 9136

Benzo[c]phenanthrene

Structural Information

Molecular Formula
C18H12
SMILES
C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C=C3
InChI
InChI=1S/C18H12/c1-3-7-16-13(5-1)9-11-15-12-10-14-6-2-4-8-17(14)18(15)16/h1-12H
InChIKey
TUAHORSUHVUKBD-UHFFFAOYSA-N
Compound name
benzo[c]phenanthrene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

91
References

3307
Patents

228.0939 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.10118 147.5
[M+Na]+ 251.08312 158.0
[M-H]- 227.08662 154.3
[M+NH4]+ 246.12772 168.6
[M+K]+ 267.05706 151.4
[M+H-H2O]+ 211.09116 139.9
[M+HCOO]- 273.09210 169.7
[M+CH3COO]- 287.10775 161.1
[M+Na-2H]- 249.06857 159.6
[M]+ 228.09335 148.6
[M]- 228.09445 148.6
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