CID 165988672

5-(2-bromo-1,1,2,2-tetrafluoroethoxy)-2-chloropyridine

Structural Information

Molecular Formula
C7H3BrClF4NO
SMILES
C1=CC(=NC=C1OC(C(F)(F)Br)(F)F)Cl
InChI
InChI=1S/C7H3BrClF4NO/c8-6(10,11)7(12,13)15-4-1-2-5(9)14-3-4/h1-3H
InChIKey
HBVHHDSWMVLGQZ-UHFFFAOYSA-N
Compound name
5-(2-bromo-1,1,2,2-tetrafluoroethoxy)-2-chloropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.90228 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.90956 152.2
[M+Na]+ 329.89150 166.3
[M-H]- 305.89500 152.8
[M+NH4]+ 324.93610 170.6
[M+K]+ 345.86544 153.2
[M+H-H2O]+ 289.89954 149.9
[M+HCOO]- 351.90048 162.4
[M+CH3COO]- 365.91613 196.4
[M+Na-2H]- 327.87695 160.0
[M]+ 306.90173 168.4
[M]- 306.90283 168.4
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.