CID 72212758

Methyl 4-bromo-6-formylpyridine-2-carboxylate

Structural Information

Molecular Formula
C8H6BrNO3
SMILES
COC(=O)C1=CC(=CC(=N1)C=O)Br
InChI
InChI=1S/C8H6BrNO3/c1-13-8(12)7-3-5(9)2-6(4-11)10-7/h2-4H,1H3
InChIKey
VDFRUVJKUCTBKU-UHFFFAOYSA-N
Compound name
methyl 4-bromo-6-formylpyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

242.95311 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.96039 137.7
[M+Na]+ 265.94233 150.6
[M-H]- 241.94583 143.3
[M+NH4]+ 260.98693 157.9
[M+K]+ 281.91627 140.6
[M+H-H2O]+ 225.95037 137.4
[M+HCOO]- 287.95131 158.9
[M+CH3COO]- 301.96696 187.9
[M+Na-2H]- 263.92778 145.2
[M]+ 242.95256 159.2
[M]- 242.95366 159.2
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

patents stripe