CID 15463

4-(chloromethyl)biphenyl

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

80
References

1514
Patents

202.05493 Da
Monoisotopic Mass

4.7
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