CID 130801

Refchem:581056

Structural Information

Molecular Formula
C17H12
SMILES
C1C=CC2=C1C=CC3=C2C=CC4=CC=CC=C43
InChI
InChI=1S/C17H12/c1-2-6-14-12(4-1)8-10-17-15-7-3-5-13(15)9-11-16(14)17/h1-4,6-11H,5H2
InChIKey
WTBYIGJBYRZQDP-UHFFFAOYSA-N
Compound name
17H-cyclopenta[a]phenanthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

75
Patents

216.0939 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.101176 145.3
[M+Na]+ 239.083118 156.4
[M-H]- 215.086624 152.5
[M+NH4]+ 234.127723 169.0
[M+K]+ 255.057058 150.0
[M+H-H2O]+ 199.091160 138.9
[M+HCOO]- 261.092101 168.9
[M+CH3COO]- 275.107751 159.7
[M+Na-2H]- 237.068566 154.9
[M]+ 216.09335142 147.1
[M]- 216.09444858 147.1
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