CID 11436307

4-(bromomethyl)-2-chloro-6-methoxypyridine

Structural Information

Molecular Formula
C7H7BrClNO
SMILES
COC1=NC(=CC(=C1)CBr)Cl
InChI
InChI=1S/C7H7BrClNO/c1-11-7-3-5(4-8)2-6(9)10-7/h2-3H,4H2,1H3
InChIKey
ZODLIXQRAVICAH-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-2-chloro-6-methoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

234.93996 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.947236 135.1
[M+Na]+ 257.929178 149.3
[M-H]- 233.932684 140.6
[M+NH4]+ 252.973783 156.8
[M+K]+ 273.903118 137.3
[M+H-H2O]+ 217.937220 135.9
[M+HCOO]- 279.938161 152.4
[M+CH3COO]- 293.953811 186.4
[M+Na-2H]- 255.914626 143.9
[M]+ 234.93941142 157.3
[M]- 234.94050858 157.3
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