CID 23391119

Schembl19822670

Structural Information

Molecular Formula
C23H23Cl
SMILES
CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H23Cl/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(24)17-15-22/h6-17H,2-5H2,1H3
InChIKey
ABCXIBFCBRIYIH-UHFFFAOYSA-N
Compound name
1-chloro-4-[4-(4-pentylphenyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

334.14883 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.15611 182.0
[M+Na]+ 357.13805 189.7
[M-H]- 333.14155 190.9
[M+NH4]+ 352.18265 196.5
[M+K]+ 373.11199 181.3
[M+H-H2O]+ 317.14609 173.1
[M+HCOO]- 379.14703 199.9
[M+CH3COO]- 393.16268 192.9
[M+Na-2H]- 355.12350 184.7
[M]+ 334.14828 184.9
[M]- 334.14938 184.9
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