CID 129206075

2,4,5,6-phenanthrenetetrol

Structural Information

Molecular Formula
C14H10O4
SMILES
C1=CC2=CC(=CC(=C2C3=C1C=CC(=C3O)O)O)O
InChI
InChI=1S/C14H10O4/c15-9-5-8-2-1-7-3-4-10(16)14(18)13(7)12(8)11(17)6-9/h1-6,15-18H
InChIKey
JSLUYTKYLIDAEB-UHFFFAOYSA-N
Compound name
phenanthrene-2,4,5,6-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

242.0579 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06518 148.5
[M+Na]+ 265.04712 160.0
[M-H]- 241.05062 150.5
[M+NH4]+ 260.09172 166.3
[M+K]+ 281.02106 154.6
[M+H-H2O]+ 225.05516 143.1
[M+HCOO]- 287.05610 167.1
[M+CH3COO]- 301.07175 161.1
[M+Na-2H]- 263.03257 156.3
[M]+ 242.05735 149.7
[M]- 242.05845 149.7
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