CID 72213998

6-bromo-4-chloropyridin-3-ol

Structural Information

Molecular Formula
C5H3BrClNO
SMILES
C1=C(C(=CN=C1Br)O)Cl
InChI
InChI=1S/C5H3BrClNO/c6-5-1-3(7)4(9)2-8-5/h1-2,9H
InChIKey
UGFRHVMWGLTRQV-UHFFFAOYSA-N
Compound name
6-bromo-4-chloropyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

206.90865 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.915926 126.8
[M+Na]+ 229.897868 141.3
[M-H]- 205.901374 131.3
[M+NH4]+ 224.942473 148.8
[M+K]+ 245.871808 128.8
[M+H-H2O]+ 189.905910 128.2
[M+HCOO]- 251.906851 143.3
[M+CH3COO]- 265.922501 178.3
[M+Na-2H]- 227.883316 136.1
[M]+ 206.90810142 146.5
[M]- 206.90919858 146.5
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