CID 137377826

5-bromo-2-chloro-3-(2,2-difluoroethoxy)pyridine

Structural Information

Molecular Formula
C7H5BrClF2NO
SMILES
C1=C(C=NC(=C1OCC(F)F)Cl)Br
InChI
InChI=1S/C7H5BrClF2NO/c8-4-1-5(7(9)12-2-4)13-3-6(10)11/h1-2,6H,3H2
InChIKey
HCVWNGMKEBDENT-UHFFFAOYSA-N
Compound name
5-bromo-2-chloro-3-(2,2-difluoroethoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

270.9211 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.92838 142.1
[M+Na]+ 293.91032 156.0
[M-H]- 269.91382 145.0
[M+NH4]+ 288.95492 162.1
[M+K]+ 309.88426 143.4
[M+H-H2O]+ 253.91836 141.0
[M+HCOO]- 315.91930 156.5
[M+CH3COO]- 329.93495 192.2
[M+Na-2H]- 291.89577 148.4
[M]+ 270.92055 161.5
[M]- 270.92165 161.5
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