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 156.1
[M+Na]+ 275.10426 162.7
[M-H]- 251.10776 159.8
[M+NH4]+ 270.14886 174.3
[M+K]+ 291.07820 158.3
[M+H-H2O]+ 235.11230 149.5
[M+HCOO]- 297.11324 173.2
[M+CH3COO]- 311.12889 167.4
[M+Na-2H]- 273.08971 161.2
[M]+ 252.11449 154.6
[M]- 252.11559 154.6
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.