CID 116469

9,10-dihydro-2-phenanthrenecarboxylic acid

Structural Information

Molecular Formula
C15H12O2
SMILES
C1CC2=C(C=CC(=C2)C(=O)O)C3=CC=CC=C31
InChI
InChI=1S/C15H12O2/c16-15(17)12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2,(H,16,17)
InChIKey
KDKMJRJRONOCSH-UHFFFAOYSA-N
Compound name
9,10-dihydrophenanthrene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

224.08372 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.090996 146.6
[M+Na]+ 247.072938 154.5
[M-H]- 223.076444 150.6
[M+NH4]+ 242.117543 166.1
[M+K]+ 263.046878 149.9
[M+H-H2O]+ 207.080980 140.2
[M+HCOO]- 269.081921 165.4
[M+CH3COO]- 283.097571 159.0
[M+Na-2H]- 245.058386 154.0
[M]+ 224.08317142 145.1
[M]- 224.08426858 145.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe