CID 82021

1-benzyl-2-(chloromethyl)benzene

Structural Information

Molecular Formula
C14H13Cl
SMILES
C1=CC=C(C=C1)CC2=CC=CC=C2CCl
InChI
InChI=1S/C14H13Cl/c15-11-14-9-5-4-8-13(14)10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKey
LPCDKGCUDQLTIX-UHFFFAOYSA-N
Compound name
1-benzyl-2-(chloromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

216.07057 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.077846 145.9
[M+Na]+ 239.059788 154.4
[M-H]- 215.063294 152.3
[M+NH4]+ 234.104393 165.3
[M+K]+ 255.033728 148.6
[M+H-H2O]+ 199.067830 139.6
[M+HCOO]- 261.068771 165.8
[M+CH3COO]- 275.084421 159.3
[M+Na-2H]- 237.045236 152.9
[M]+ 216.07002142 147.6
[M]- 216.07111858 147.6
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