CID 23391145

4-butyl-4''-chloro-1,1':4',1''-terphenyl

Structural Information

Molecular Formula
C22H21Cl
SMILES
CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H21Cl/c1-2-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-15-22(23)16-14-21/h5-16H,2-4H2,1H3
InChIKey
HRBDBWCEVWZORX-UHFFFAOYSA-N
Compound name
1-butyl-4-[4-(4-chlorophenyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

320.13318 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14046 177.4
[M+Na]+ 343.12240 185.6
[M-H]- 319.12590 186.5
[M+NH4]+ 338.16700 192.5
[M+K]+ 359.09634 177.3
[M+H-H2O]+ 303.13044 168.7
[M+HCOO]- 365.13138 195.7
[M+CH3COO]- 379.14703 188.7
[M+Na-2H]- 341.10785 180.7
[M]+ 320.13263 179.9
[M]- 320.13373 179.9
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