CID 119026

4h-cyclopenta(def)chrysen-4-ol

Structural Information

Molecular Formula
C19H12O
SMILES
C1=CC=C2C3=C4C(=CC2=C1)C(C5=CC=CC(=C54)C=C3)O
InChI
InChI=1S/C19H12O/c20-19-15-7-3-5-11-8-9-14-13-6-2-1-4-12(13)10-16(19)18(14)17(11)15/h1-10,19-20H
InChIKey
GESJVEUWYDSOMJ-UHFFFAOYSA-N
Compound name
pentacyclo[14.2.1.03,8.09,18.012,17]nonadeca-1,3,5,7,9(18),10,12(17),13,15-nonaen-19-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

0
Patents

256.0888 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.096076 155.2
[M+Na]+ 279.078018 166.4
[M-H]- 255.081524 161.0
[M+NH4]+ 274.122623 178.1
[M+K]+ 295.051958 159.2
[M+H-H2O]+ 239.086060 148.5
[M+HCOO]- 301.087001 174.8
[M+CH3COO]- 315.102651 168.4
[M+Na-2H]- 277.063466 164.4
[M]+ 256.08825142 158.9
[M]- 256.08934858 158.9
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

No patent data available for this compound.