CID 23391118

Melt

Structural Information

Molecular Formula
C19H15Cl
SMILES
CC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H15Cl/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-10-12-19(20)13-11-18/h2-13H,1H3
InChIKey
JSHCAIOOBGHFKD-UHFFFAOYSA-N
Compound name
1-chloro-4-[4-(4-methylphenyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

278.08624 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.09352 163.4
[M+Na]+ 301.07546 172.9
[M-H]- 277.07896 173.1
[M+NH4]+ 296.12006 180.2
[M+K]+ 317.04940 165.4
[M+H-H2O]+ 261.08350 155.4
[M+HCOO]- 323.08444 182.7
[M+CH3COO]- 337.10009 176.1
[M+Na-2H]- 299.06091 168.4
[M]+ 278.08569 165.0
[M]- 278.08679 165.0
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

No patent data available for this compound.