CID 16322

3-chlorobiphenyl

Structural Information

Molecular Formula
C12H9Cl
SMILES
C1=CC=C(C=C1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C12H9Cl/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H
InChIKey
NMWSKOLWZZWHPL-UHFFFAOYSA-N
Compound name
1-chloro-3-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

69
References

2071
Patents

188.03928 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.04656 136.5
[M+Na]+ 211.02850 145.8
[M-H]- 187.03200 143.3
[M+NH4]+ 206.07310 157.0
[M+K]+ 227.00244 140.5
[M+H-H2O]+ 171.03654 130.7
[M+HCOO]- 233.03748 157.0
[M+CH3COO]- 247.05313 150.7
[M+Na-2H]- 209.01395 144.6
[M]+ 188.03873 137.4
[M]- 188.03983 137.4
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