CID 9798987

158938-08-0

Structural Information

Molecular Formula
C24H24O3
SMILES
CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C24H24O3/c1-2-3-4-17-27-23-15-13-21(14-16-23)19-7-5-18(6-8-19)20-9-11-22(12-10-20)24(25)26/h5-16H,2-4,17H2,1H3,(H,25,26)
InChIKey
APIUMVXKBCYBSC-UHFFFAOYSA-N
Compound name
4-[4-(4-pentoxyphenyl)phenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

360.17255 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.17983 188.9
[M+Na]+ 383.16177 194.3
[M-H]- 359.16527 196.7
[M+NH4]+ 378.20637 200.1
[M+K]+ 399.13571 188.5
[M+H-H2O]+ 343.16981 179.0
[M+HCOO]- 405.17075 209.2
[M+CH3COO]- 419.18640 214.9
[M+Na-2H]- 381.14722 190.0
[M]+ 360.17200 190.7
[M]- 360.17310 190.7
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