CID 84334

1-(chloromethyl)-4-(phenylmethyl)benzene

Structural Information

Molecular Formula
C14H13Cl
SMILES
C1=CC=C(C=C1)CC2=CC=C(C=C2)CCl
InChI
InChI=1S/C14H13Cl/c15-11-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKey
VYNOLHAQTWUNLJ-UHFFFAOYSA-N
Compound name
1-benzyl-4-(chloromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

78
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

literature stripe

Patent stripe

patents stripe