CID 60799860

1-(3-chloroprop-1-yn-1-yl)-3-methoxybenzene

Structural Information

Molecular Formula
C10H9ClO
SMILES
COC1=CC=CC(=C1)C#CCCl
InChI
InChI=1S/C10H9ClO/c1-12-10-6-2-4-9(8-10)5-3-7-11/h2,4,6,8H,7H2,1H3
InChIKey
HDJPUYBIGWKQHE-UHFFFAOYSA-N
Compound name
1-(3-chloroprop-1-ynyl)-3-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.0342 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04148 133.5
[M+Na]+ 203.02342 147.7
[M+NH4]+ 198.06802 139.5
[M+K]+ 218.99736 137.0
[M-H]- 179.02692 128.3
[M+Na-2H]- 201.00887 138.6
[M]+ 180.03365 133.7
[M]- 180.03475 133.7
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.