CID 49787035

Cis-3,4-phenanthrenedihydrodiol-4-carboxylate

Structural Information

Molecular Formula
C15H12O4
SMILES
C1=CC=C2C(=C1)C=CC3=C2[C@]([C@@H](C=C3)O)(C(=O)O)O
InChI
InChI=1S/C15H12O4/c16-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)15(12,19)14(17)18/h1-8,12,16,19H,(H,17,18)/t12-,15-/m1/s1
InChIKey
WBAZPUVNIAXCFM-IUODEOHRSA-N
Compound name
(3R,4S)-3,4-dihydroxy-3H-phenanthrene-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.07355 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08083 155.1
[M+Na]+ 279.06277 168.3
[M+NH4]+ 274.10737 164.7
[M+K]+ 295.03671 160.5
[M-H]- 255.06627 156.7
[M+Na-2H]- 277.04822 161.3
[M]+ 256.07300 157.5
[M]- 256.07410 157.5
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

No patent data available for this compound.