CID 2734087

2-bromo-4-methylpyridine

Structural Information

Molecular Formula
C6H6BrN
SMILES
CC1=CC(=NC=C1)Br
InChI
InChI=1S/C6H6BrN/c1-5-2-3-8-6(7)4-5/h2-4H,1H3
InChIKey
LSZMVESSGLHDJE-UHFFFAOYSA-N
Compound name
2-bromo-4-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2772
Patents

170.96835 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.975626 123.6
[M+Na]+ 193.957568 136.5
[M-H]- 169.961074 129.1
[M+NH4]+ 189.002173 146.6
[M+K]+ 209.931508 126.3
[M+H-H2O]+ 153.965610 124.1
[M+HCOO]- 215.966551 145.5
[M+CH3COO]- 229.982201 177.1
[M+Na-2H]- 191.943016 134.0
[M]+ 170.96780142 142.0
[M]- 170.96889858 142.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe