CID 72212758

1206249-70-8

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]+ 243.960386 137.7
[M+Na]+ 265.942328 150.6
[M-H]- 241.945834 143.3
[M+NH4]+ 260.986933 157.9
[M+K]+ 281.916268 140.6
[M+H-H2O]+ 225.950370 137.4
[M+HCOO]- 287.951311 158.9
[M+CH3COO]- 301.966961 187.9
[M+Na-2H]- 263.927776 145.2
[M]+ 242.95256142 159.2
[M]- 242.95365858 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