CID 130996620

4-bromo-5-(bromomethyl)-2-methoxypyridine

Structural Information

Molecular Formula
C7H7Br2NO
SMILES
COC1=NC=C(C(=C1)Br)CBr
InChI
InChI=1S/C7H7Br2NO/c1-11-7-2-6(9)5(3-8)4-10-7/h2,4H,3H2,1H3
InChIKey
NOJWVKRYWFJPQK-UHFFFAOYSA-N
Compound name
4-bromo-5-(bromomethyl)-2-methoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.88943 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.89671 132.2
[M+Na]+ 301.87865 144.1
[M-H]- 277.88215 138.4
[M+NH4]+ 296.92325 151.4
[M+K]+ 317.85259 129.4
[M+H-H2O]+ 261.88669 140.4
[M+HCOO]- 323.88763 148.7
[M+CH3COO]- 337.90328 200.6
[M+Na-2H]- 299.86410 141.0
[M]+ 278.88888 167.8
[M]- 278.88998 167.8
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.