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

45
Patents

254.13068 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.137956 159.6
[M+Na]+ 277.119898 165.4
[M-H]- 253.123404 164.5
[M+NH4]+ 272.164503 175.5
[M+K]+ 293.093838 160.8
[M+H-H2O]+ 237.127940 152.1
[M+HCOO]- 299.128881 181.1
[M+CH3COO]- 313.144531 193.7
[M+Na-2H]- 275.105346 163.7
[M]+ 254.13013142 159.8
[M]- 254.13122858 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