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]+ 225.09100 146.6
[M+Na]+ 247.07294 154.5
[M-H]- 223.07644 150.6
[M+NH4]+ 242.11754 166.1
[M+K]+ 263.04688 149.9
[M+H-H2O]+ 207.08098 140.2
[M+HCOO]- 269.08192 165.4
[M+CH3COO]- 283.09757 159.0
[M+Na-2H]- 245.05839 154.0
[M]+ 224.08317 145.1
[M]- 224.08427 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