CID 22116405

5-(4-phenylphenyl)pentanoic acid

Structural Information

Molecular Formula
C17H18O2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)CCCCC(=O)O
InChI
InChI=1S/C17H18O2/c18-17(19)9-5-4-6-14-10-12-16(13-11-14)15-7-2-1-3-8-15/h1-3,7-8,10-13H,4-6,9H2,(H,18,19)
InChIKey
RWKWHHLDSGRVAR-UHFFFAOYSA-N
Compound name
5-(4-phenylphenyl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

254.13068 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13796 159.6
[M+Na]+ 277.11990 165.4
[M-H]- 253.12340 164.5
[M+NH4]+ 272.16450 175.5
[M+K]+ 293.09384 160.8
[M+H-H2O]+ 237.12794 152.1
[M+HCOO]- 299.12888 181.1
[M+CH3COO]- 313.14453 193.7
[M+Na-2H]- 275.10535 163.7
[M]+ 254.13013 159.8
[M]- 254.13123 159.8
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