CID 9147

Methylenephenanthrene

Structural Information

Molecular Formula
C15H10
SMILES
C1C2=CC=CC3=C2C4=C(C=CC=C41)C=C3
InChI
InChI=1S/C15H10/c1-3-10-7-8-11-4-2-6-13-9-12(5-1)14(10)15(11)13/h1-8H,9H2
InChIKey
RKZDZWJDQTZDLD-UHFFFAOYSA-N
Compound name
tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

322
Patents

190.07825 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08553 137.9
[M+Na]+ 213.06747 148.7
[M-H]- 189.07097 143.8
[M+NH4]+ 208.11207 163.2
[M+K]+ 229.04141 143.2
[M+H-H2O]+ 173.07551 132.0
[M+HCOO]- 235.07645 160.9
[M+CH3COO]- 249.09210 152.7
[M+Na-2H]- 211.05292 148.5
[M]+ 190.07770 141.4
[M]- 190.07880 141.4
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