CID 23391120

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

Structural Information

Molecular Formula
C21H19Cl
SMILES
CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H19Cl/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(22)15-13-20/h4-15H,2-3H2,1H3
InChIKey
KNKPVGGUJYKZTD-UHFFFAOYSA-N
Compound name
1-chloro-4-[4-(4-propylphenyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

306.11752 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.12480 172.8
[M+Na]+ 329.10674 181.4
[M-H]- 305.11024 182.1
[M+NH4]+ 324.15134 188.4
[M+K]+ 345.08068 173.4
[M+H-H2O]+ 289.11478 164.3
[M+HCOO]- 351.11572 191.4
[M+CH3COO]- 365.13137 184.5
[M+Na-2H]- 327.09219 176.6
[M]+ 306.11697 175.0
[M]- 306.11807 175.0
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