CID 12511613

5-bromo-4-chloro-3-methoxy-2-methylpyridine

Structural Information

Molecular Formula
C7H7BrClNO
SMILES
CC1=NC=C(C(=C1OC)Cl)Br
InChI
InChI=1S/C7H7BrClNO/c1-4-7(11-2)6(9)5(8)3-10-4/h3H,1-2H3
InChIKey
JBLMLPOMVWZKEV-UHFFFAOYSA-N
Compound name
5-bromo-4-chloro-3-methoxy-2-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.93996 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.94724 134.5
[M+Na]+ 257.92918 149.5
[M-H]- 233.93268 140.4
[M+NH4]+ 252.97378 156.5
[M+K]+ 273.90312 137.5
[M+H-H2O]+ 217.93722 135.5
[M+HCOO]- 279.93816 151.8
[M+CH3COO]- 293.95381 187.4
[M+Na-2H]- 255.91463 142.7
[M]+ 234.93941 157.0
[M]- 234.94051 157.0
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.