CID 520346

1-benzyl-3-chlorobenzene

Structural Information

Molecular Formula
C13H11Cl
SMILES
C1=CC=C(C=C1)CC2=CC(=CC=C2)Cl
InChI
InChI=1S/C13H11Cl/c14-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKey
JEOITUQBDPRYRG-UHFFFAOYSA-N
Compound name
1-benzyl-3-chlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

202.05493 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.062206 141.2
[M+Na]+ 225.044148 150.2
[M-H]- 201.047654 147.8
[M+NH4]+ 220.088753 161.2
[M+K]+ 241.018088 144.6
[M+H-H2O]+ 185.052190 135.2
[M+HCOO]- 247.053131 161.4
[M+CH3COO]- 261.068781 155.0
[M+Na-2H]- 223.029596 148.7
[M]+ 202.05438142 142.5
[M]- 202.05547858 142.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe