CID 13253

4-chlorodiphenylmethane

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

638
Patents

202.05493 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.06221 141.2
[M+Na]+ 225.04415 150.2
[M-H]- 201.04765 147.8
[M+NH4]+ 220.08875 161.2
[M+K]+ 241.01809 144.6
[M+H-H2O]+ 185.05219 135.2
[M+HCOO]- 247.05313 161.4
[M+CH3COO]- 261.06878 155.0
[M+Na-2H]- 223.02960 148.7
[M]+ 202.05438 142.5
[M]- 202.05548 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