CID 61808733

1-chloro-3-(3-chloroprop-1-yn-1-yl)benzene

Structural Information

Molecular Formula
C9H6Cl2
SMILES
C1=CC(=CC(=C1)Cl)C#CCCl
InChI
InChI=1S/C9H6Cl2/c10-6-2-4-8-3-1-5-9(11)7-8/h1,3,5,7H,6H2
InChIKey
CHSCILWMGQTFMZ-UHFFFAOYSA-N
Compound name
1-chloro-3-(3-chloroprop-1-ynyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.98465 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.99193 131.1
[M+Na]+ 206.97387 146.2
[M+NH4]+ 202.01847 137.8
[M+K]+ 222.94781 134.9
[M-H]- 182.97737 126.5
[M+Na-2H]- 204.95932 136.9
[M]+ 183.98410 131.9
[M]- 183.98520 131.9
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.