CID 63656440

4-bromo-1-(but-3-yn-1-yloxy)-2-chlorobenzene

Structural Information

Molecular Formula
C10H8BrClO
SMILES
C#CCCOC1=C(C=C(C=C1)Br)Cl
InChI
InChI=1S/C10H8BrClO/c1-2-3-6-13-10-5-4-8(11)7-9(10)12/h1,4-5,7H,3,6H2
InChIKey
RWIORRMVCOYMHJ-UHFFFAOYSA-N
Compound name
4-bromo-1-but-3-ynoxy-2-chlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.9447 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.95198 141.0
[M+Na]+ 280.93392 156.8
[M-H]- 256.93742 145.0
[M+NH4]+ 275.97852 160.7
[M+K]+ 296.90786 142.6
[M+H-H2O]+ 240.94196 136.4
[M+HCOO]- 302.94290 156.0
[M+CH3COO]- 316.95855 197.9
[M+Na-2H]- 278.91937 147.4
[M]+ 257.94415 155.9
[M]- 257.94525 155.9
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.