CID 218300

40452-14-0

Structural Information

Molecular Formula
C17H14O2
SMILES
CC(C1=CC2=C(C=C1)C3=CC=CC=C3C=C2)C(=O)O
InChI
InChI=1S/C17H14O2/c1-11(17(18)19)13-8-9-16-14(10-13)7-6-12-4-2-3-5-15(12)16/h2-11H,1H3,(H,18,19)
InChIKey
JZLURVIGARJQHZ-UHFFFAOYSA-N
Compound name
2-phenanthren-2-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.09938 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10666 154.6
[M+Na]+ 273.08860 170.6
[M+NH4]+ 268.13320 164.3
[M+K]+ 289.06254 162.5
[M-H]- 249.09210 158.5
[M+Na-2H]- 271.07405 162.6
[M]+ 250.09883 158.2
[M]- 250.09993 158.2
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

No patent data available for this compound.