CID 165653922

5-bromo-2-ethynyl-4-methylpyridine

Structural Information

Molecular Formula
C8H6BrN
SMILES
CC1=CC(=NC=C1Br)C#C
InChI
InChI=1S/C8H6BrN/c1-3-7-4-6(2)8(9)5-10-7/h1,4-5H,2H3
InChIKey
QVDUJJWPASZWAH-UHFFFAOYSA-N
Compound name
5-bromo-2-ethynyl-4-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.96835 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.97563 126.9
[M+Na]+ 217.95757 141.9
[M-H]- 193.96107 129.7
[M+NH4]+ 213.00217 146.6
[M+K]+ 233.93151 130.1
[M+H-H2O]+ 177.96561 121.1
[M+HCOO]- 239.96655 144.9
[M+CH3COO]- 253.98220 190.2
[M+Na-2H]- 215.94302 134.6
[M]+ 194.96780 138.7
[M]- 194.96890 138.7
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.