CID 119694

27651-84-9

Structural Information

Molecular Formula
C17H16O2
SMILES
CC(C1=CC2=C(C=C1)C3=CC=CC=C3CC2)C(=O)O
InChI
InChI=1S/C17H16O2/c1-11(17(18)19)13-8-9-16-14(10-13)7-6-12-4-2-3-5-15(12)16/h2-5,8-11H,6-7H2,1H3,(H,18,19)
InChIKey
QLPNZYZWDNTQFD-UHFFFAOYSA-N
Compound name
2-(9,10-dihydrophenanthren-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.11504 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12232 156.6
[M+Na]+ 275.10426 170.6
[M+NH4]+ 270.14886 166.2
[M+K]+ 291.07820 163.0
[M-H]- 251.10776 160.0
[M+Na-2H]- 273.08971 162.7
[M]+ 252.11449 159.6
[M]- 252.11559 159.6
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.