CID 11139230

[1,1'-biphenyl]-4-butanoic acid

Structural Information

Molecular Formula
C16H16O2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)CCCC(=O)O
InChI
InChI=1S/C16H16O2/c17-16(18)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8H2,(H,17,18)
InChIKey
XSFAQQLHYUBFKV-UHFFFAOYSA-N
Compound name
4-(4-phenylphenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

121
Patents

240.11504 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12232 155.0
[M+Na]+ 263.10426 161.2
[M-H]- 239.10776 160.0
[M+NH4]+ 258.14886 171.5
[M+K]+ 279.07820 156.9
[M+H-H2O]+ 223.11230 147.6
[M+HCOO]- 285.11324 176.8
[M+CH3COO]- 299.12889 190.7
[M+Na-2H]- 261.08971 159.6
[M]+ 240.11449 154.8
[M]- 240.11559 154.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe