CID 167718311

3-(2-bromo-1,1-difluoroethoxy)-2-chloropyridine

Structural Information

Molecular Formula
C7H5BrClF2NO
SMILES
C1=CC(=C(N=C1)Cl)OC(CBr)(F)F
InChI
InChI=1S/C7H5BrClF2NO/c8-4-7(10,11)13-5-2-1-3-12-6(5)9/h1-3H,4H2
InChIKey
YBTNMGCKLZJBKD-UHFFFAOYSA-N
Compound name
3-(2-bromo-1,1-difluoroethoxy)-2-chloropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 144.0
[M+Na]+ 293.91032 157.7
[M-H]- 269.91382 146.8
[M+NH4]+ 288.95492 163.9
[M+K]+ 309.88426 145.1
[M+H-H2O]+ 253.91836 143.2
[M+HCOO]- 315.91930 157.8
[M+CH3COO]- 329.93495 190.7
[M+Na-2H]- 291.89577 152.5
[M]+ 270.92055 163.2
[M]- 270.92165 163.2
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

No patent data available for this compound.