CID 82105

4-phenanthrenol

Structural Information

Molecular Formula
C14H10O
SMILES
C1=CC=C2C(=C1)C=CC3=C2C(=CC=C3)O
InChI
InChI=1S/C14H10O/c15-13-7-3-5-11-9-8-10-4-1-2-6-12(10)14(11)13/h1-9,15H
InChIKey
SIMYIUXARJLHEA-UHFFFAOYSA-N
Compound name
phenanthren-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

29
References

282
Patents

194.07317 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08045 137.5
[M+Na]+ 217.06239 148.1
[M-H]- 193.06589 142.5
[M+NH4]+ 212.10699 158.7
[M+K]+ 233.03633 142.9
[M+H-H2O]+ 177.07043 131.4
[M+HCOO]- 239.07137 160.3
[M+CH3COO]- 253.08702 151.7
[M+Na-2H]- 215.04784 148.7
[M]+ 194.07262 138.5
[M]- 194.07372 138.5
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