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
2
Annotation Hits

0
References

55
Patents

216.07057 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.07785 145.9
[M+Na]+ 239.05979 154.4
[M-H]- 215.06329 152.3
[M+NH4]+ 234.10439 165.3
[M+K]+ 255.03373 148.6
[M+H-H2O]+ 199.06783 139.6
[M+HCOO]- 261.06877 165.8
[M+CH3COO]- 275.08442 159.3
[M+Na-2H]- 237.04524 152.9
[M]+ 216.07002 147.6
[M]- 216.07112 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