CID 218305

40453-15-4

Structural Information

Molecular Formula
C17H14O2
SMILES
CC(C1=CC2=C(C=CC3=CC=CC=C32)C=C1)C(=O)O
InChI
InChI=1S/C17H14O2/c1-11(17(18)19)14-9-8-13-7-6-12-4-2-3-5-15(12)16(13)10-14/h2-11H,1H3,(H,18,19)
InChIKey
BQGDBXHKMJKCKX-UHFFFAOYSA-N
Compound name
2-phenanthren-3-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.09938 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10666 154.5
[M+Na]+ 273.08860 163.2
[M-H]- 249.09210 159.0
[M+NH4]+ 268.13320 173.0
[M+K]+ 289.06254 158.4
[M+H-H2O]+ 233.09664 147.8
[M+HCOO]- 295.09758 174.5
[M+CH3COO]- 309.11323 166.9
[M+Na-2H]- 271.07405 161.5
[M]+ 250.09883 155.9
[M]- 250.09993 155.9
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.