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-chloropyridin-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

234.93996 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.94724 136.1
[M+Na]+ 257.92918 149.8
[M-H]- 233.93268 140.3
[M+NH4]+ 252.97378 157.1
[M+K]+ 273.90312 136.8
[M+H-H2O]+ 217.93722 137.1
[M+HCOO]- 279.93816 152.0
[M+CH3COO]- 293.95381 183.9
[M+Na-2H]- 255.91463 144.3
[M]+ 234.93941 156.5
[M]- 234.94051 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