CID 155225603

2-(5-bromo-2-chloropyridin-4-yl)ethan-1-ol

Structural Information

Molecular Formula
C7H7BrClNO
SMILES
C1=C(C(=CN=C1Cl)Br)CCO
InChI
InChI=1S/C7H7BrClNO/c8-6-4-10-7(9)3-5(6)1-2-11/h3-4,11H,1-2H2
InChIKey
WXMKMEWPOJSHEY-UHFFFAOYSA-N
Compound name
2-(5-bromo-2-chloro-4-pyridinyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

234.93996 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.947236 136.1
[M+Na]+ 257.929178 149.8
[M-H]- 233.932684 140.3
[M+NH4]+ 252.973783 157.1
[M+K]+ 273.903118 136.8
[M+H-H2O]+ 217.937220 137.1
[M+HCOO]- 279.938161 152.0
[M+CH3COO]- 293.953811 183.9
[M+Na-2H]- 255.914626 144.3
[M]+ 234.93941142 156.5
[M]- 234.94050858 156.5
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