CID 53441393

1-[4-(4-chloro-but-2-ynyloxy)-phenyl]-ethanone

Structural Information

Molecular Formula
C12H11ClO2
SMILES
CC(=O)C1=CC=C(C=C1)OCC#CCCl
InChI
InChI=1S/C12H11ClO2/c1-10(14)11-4-6-12(7-5-11)15-9-3-2-8-13/h4-7H,8-9H2,1H3
InChIKey
SHYFTRIVFDLORP-UHFFFAOYSA-N
Compound name
1-[4-(4-chlorobut-2-ynoxy)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.04475 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.05203 144.1
[M+Na]+ 245.03397 157.2
[M+NH4]+ 240.07857 148.9
[M+K]+ 261.00791 147.1
[M-H]- 221.03747 137.9
[M+Na-2H]- 243.01942 147.8
[M]+ 222.04420 143.6
[M]- 222.04530 143.6
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.