CID 121228143

Methyl 2,6-dibromopyridine-4-acetate

Structural Information

Molecular Formula
C8H7Br2NO2
SMILES
COC(=O)CC1=CC(=NC(=C1)Br)Br
InChI
InChI=1S/C8H7Br2NO2/c1-13-8(12)4-5-2-6(9)11-7(10)3-5/h2-3H,4H2,1H3
InChIKey
IQYSSQFSIKWHMB-UHFFFAOYSA-N
Compound name
methyl 2-(2,6-dibromopyridin-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.88434 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.89162 137.9
[M+Na]+ 329.87356 149.3
[M-H]- 305.87706 144.0
[M+NH4]+ 324.91816 156.0
[M+K]+ 345.84750 134.6
[M+H-H2O]+ 289.88160 145.7
[M+HCOO]- 351.88254 153.6
[M+CH3COO]- 365.89819 203.9
[M+Na-2H]- 327.85901 145.2
[M]+ 306.88379 173.7
[M]- 306.88489 173.7
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.