CID 129958288

1256791-46-4

Structural Information

Molecular Formula
C8H7BrClNO2
SMILES
COC(=O)C1=C(C=C(C=N1)CBr)Cl
InChI
InChI=1S/C8H7BrClNO2/c1-13-8(12)7-6(10)2-5(3-9)4-11-7/h2,4H,3H2,1H3
InChIKey
MWIOWSSMPUBGGZ-UHFFFAOYSA-N
Compound name
methyl 5-(bromomethyl)-3-chloropyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.93488 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.942156 141.1
[M+Na]+ 285.924098 154.8
[M-H]- 261.927604 146.6
[M+NH4]+ 280.968703 161.5
[M+K]+ 301.898038 142.9
[M+H-H2O]+ 245.932140 141.6
[M+HCOO]- 307.933081 157.6
[M+CH3COO]- 321.948731 190.4
[M+Na-2H]- 283.909546 148.2
[M]+ 262.93433142 163.7
[M]- 262.93542858 163.7
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.