CID 22753774

9,10-dihydro-2,3,5,7-phenanthrenetetrol

Structural Information

Molecular Formula
C14H12O4
SMILES
C1CC2=C(C3=CC(=C(C=C31)O)O)C(=CC(=C2)O)O
InChI
InChI=1S/C14H12O4/c15-9-3-8-2-1-7-4-11(16)12(17)6-10(7)14(8)13(18)5-9/h3-6,15-18H,1-2H2
InChIKey
NIGUICNPKCJLJQ-UHFFFAOYSA-N
Compound name
9,10-dihydrophenanthrene-2,3,5,7-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

244.07356 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.080836 150.2
[M+Na]+ 267.062778 159.7
[M-H]- 243.066284 151.3
[M+NH4]+ 262.107383 167.7
[M+K]+ 283.036718 154.6
[M+H-H2O]+ 227.070820 144.9
[M+HCOO]- 289.071761 165.9
[M+CH3COO]- 303.087411 161.8
[M+Na-2H]- 265.048226 156.1
[M]+ 244.07301142 148.6
[M]- 244.07410858 148.6
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