CID 2762429

4-bromopyridin-3-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

279
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

No literature data available for this compound.

Patent stripe

patents stripe