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]+ 195.975626 126.9
[M+Na]+ 217.957568 141.9
[M-H]- 193.961074 129.7
[M+NH4]+ 213.002173 146.6
[M+K]+ 233.931508 130.1
[M+H-H2O]+ 177.965610 121.1
[M+HCOO]- 239.966551 144.9
[M+CH3COO]- 253.982201 190.2
[M+Na-2H]- 215.943016 134.6
[M]+ 194.96780142 138.7
[M]- 194.96889858 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.