CID 23391117

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

Structural Information

Molecular Formula
C20H17Cl
SMILES
CCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H17Cl/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(21)14-12-19/h3-14H,2H2,1H3
InChIKey
IOJGNQKEDPEKGJ-UHFFFAOYSA-N
Compound name
1-chloro-4-[4-(4-ethylphenyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

292.10187 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.10915 168.1
[M+Na]+ 315.09109 177.2
[M-H]- 291.09459 177.6
[M+NH4]+ 310.13569 184.3
[M+K]+ 331.06503 169.4
[M+H-H2O]+ 275.09913 159.9
[M+HCOO]- 337.10007 187.1
[M+CH3COO]- 351.11572 180.3
[M+Na-2H]- 313.07654 172.5
[M]+ 292.10132 170.0
[M]- 292.10242 170.0
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