CID 46899908

1201676-02-9

Structural Information

Molecular Formula
C9H8BrCl2NO2
SMILES
CCOC(=O)C1=CC(=NC(=C1CBr)Cl)Cl
InChI
InChI=1S/C9H8BrCl2NO2/c1-2-15-9(14)5-3-7(11)13-8(12)6(5)4-10/h3H,2,4H2,1H3
InChIKey
BDUOJIQTMXHTOI-UHFFFAOYSA-N
Compound name
ethyl 3-(bromomethyl)-2,6-dichloropyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

310.91156 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.91884 148.7
[M+Na]+ 333.90078 163.4
[M-H]- 309.90428 153.8
[M+NH4]+ 328.94538 168.0
[M+K]+ 349.87472 149.9
[M+H-H2O]+ 293.90882 149.9
[M+HCOO]- 355.90976 160.1
[M+CH3COO]- 369.92541 198.5
[M+Na-2H]- 331.88623 154.2
[M]+ 310.91101 172.6
[M]- 310.91211 172.6
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