CID 155821002

4'-chloro-3-ethynyl-1,1'-biphenyl

Structural Information

Molecular Formula
C14H9Cl
SMILES
C#CC1=CC(=CC=C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H9Cl/c1-2-11-4-3-5-13(10-11)12-6-8-14(15)9-7-12/h1,3-10H
InChIKey
PHZLHANHWLPHQI-UHFFFAOYSA-N
Compound name
1-chloro-4-(3-ethynylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.03928 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.04656 147.6
[M+Na]+ 235.02850 160.3
[M-H]- 211.03200 152.3
[M+NH4]+ 230.07310 165.2
[M+K]+ 251.00244 151.5
[M+H-H2O]+ 195.03654 136.0
[M+HCOO]- 257.03748 162.1
[M+CH3COO]- 271.05313 159.6
[M+Na-2H]- 233.01395 152.5
[M]+ 212.03873 143.4
[M]- 212.03983 143.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.