CID 604312

4,4'-dibutoxybiphenyl

Structural Information

Molecular Formula
C20H26O2
SMILES
CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OCCCC
InChI
InChI=1S/C20H26O2/c1-3-5-15-21-19-11-7-17(8-12-19)18-9-13-20(14-10-18)22-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3
InChIKey
IBCVAKLNEYUUBM-UHFFFAOYSA-N
Compound name
1-butoxy-4-(4-butoxyphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

298.19327 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.200546 173.9
[M+Na]+ 321.182488 179.6
[M-H]- 297.185994 179.8
[M+NH4]+ 316.227093 189.2
[M+K]+ 337.156428 175.5
[M+H-H2O]+ 281.190530 165.3
[M+HCOO]- 343.191471 196.6
[M+CH3COO]- 357.207121 206.3
[M+Na-2H]- 319.167936 177.2
[M]+ 298.19272142 178.6
[M]- 298.19381858 178.6
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