CID 98490

Phenanthren-1-ol

Structural Information

Molecular Formula
C14H10O
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=CC=C3O
InChI
InChI=1S/C14H10O/c15-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h1-9,15H
InChIKey
GTBXZWADMKOZQJ-UHFFFAOYSA-N
Compound name
phenanthren-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

49
References

4659
Patents

194.07317 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.080446 137.5
[M+Na]+ 217.062388 148.1
[M-H]- 193.065894 142.5
[M+NH4]+ 212.106993 158.7
[M+K]+ 233.036328 142.9
[M+H-H2O]+ 177.070430 131.4
[M+HCOO]- 239.071371 160.3
[M+CH3COO]- 253.087021 151.7
[M+Na-2H]- 215.047836 148.7
[M]+ 194.07262142 138.5
[M]- 194.07371858 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