CID 117704247

5-(bromomethyl)-2-chloro-3-methoxypyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

234.93996 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.94724 135.1
[M+Na]+ 257.92918 149.3
[M-H]- 233.93268 140.6
[M+NH4]+ 252.97378 156.8
[M+K]+ 273.90312 137.3
[M+H-H2O]+ 217.93722 135.9
[M+HCOO]- 279.93816 152.4
[M+CH3COO]- 293.95381 186.4
[M+Na-2H]- 255.91463 143.9
[M]+ 234.93941 157.3
[M]- 234.94051 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