CID 89868

4-phenanthrenemethanol

Structural Information

Molecular Formula
C15H12O
SMILES
C1=CC=C2C(=C1)C=CC3=C2C(=CC=C3)CO
InChI
InChI=1S/C15H12O/c16-10-13-6-3-5-12-9-8-11-4-1-2-7-14(11)15(12)13/h1-9,16H,10H2
InChIKey
UJSGLVQRVAPNIY-UHFFFAOYSA-N
Compound name
phenanthren-4-ylmethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

208.08882 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.096096 142.3
[M+Na]+ 231.078038 152.4
[M-H]- 207.081544 147.1
[M+NH4]+ 226.122643 163.0
[M+K]+ 247.051978 147.0
[M+H-H2O]+ 191.086080 136.0
[M+HCOO]- 253.087021 164.7
[M+CH3COO]- 267.102671 156.0
[M+Na-2H]- 229.063486 152.9
[M]+ 208.08827142 143.6
[M]- 208.08936858 143.6
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