CID 129958246

Pyridine, 6-bromo-3-chloro-2-ethynyl-

Structural Information

Molecular Formula
C7H3BrClN
SMILES
C#CC1=C(C=CC(=N1)Br)Cl
InChI
InChI=1S/C7H3BrClN/c1-2-6-5(9)3-4-7(8)10-6/h1,3-4H
InChIKey
OYQKGUQFDKQSGI-UHFFFAOYSA-N
Compound name
6-bromo-3-chloro-2-ethynylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.91374 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.921016 127.6
[M+Na]+ 237.902958 144.1
[M-H]- 213.906464 130.4
[M+NH4]+ 232.947563 147.5
[M+K]+ 253.876898 130.5
[M+H-H2O]+ 197.911000 122.6
[M+HCOO]- 259.911941 142.0
[M+CH3COO]- 273.927591 190.9
[M+Na-2H]- 235.888406 135.5
[M]+ 214.91319142 140.6
[M]- 214.91428858 140.6
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.