CID 599529

3-bromo-5-hydroxypyridine

Structural Information

Molecular Formula
C5H4BrNO
SMILES
C1=C(C=NC=C1Br)O
InChI
InChI=1S/C5H4BrNO/c6-4-1-5(8)3-7-2-4/h1-3,8H
InChIKey
VNYBIBSZZDAEOK-UHFFFAOYSA-N
Compound name
5-bromopyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2206
Patents

172.94763 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.95491 123.0
[M+Na]+ 195.93685 135.7
[M-H]- 171.94035 127.4
[M+NH4]+ 190.98145 145.2
[M+K]+ 211.91079 125.3
[M+H-H2O]+ 155.94489 123.7
[M+HCOO]- 217.94583 144.0
[M+CH3COO]- 231.96148 173.6
[M+Na-2H]- 193.92230 133.3
[M]+ 172.94708 140.7
[M]- 172.94818 140.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe