CID 137944474

2-bromo-5-(pentafluoroethoxy)pyridine

Structural Information

Molecular Formula
C7H3BrF5NO
SMILES
C1=CC(=NC=C1OC(C(F)(F)F)(F)F)Br
InChI
InChI=1S/C7H3BrF5NO/c8-5-2-1-4(3-14-5)15-7(12,13)6(9,10)11/h1-3H
InChIKey
SYWMXAKZHSTDGH-UHFFFAOYSA-N
Compound name
2-bromo-5-(1,1,2,2,2-pentafluoroethoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.93182 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.93910 153.4
[M+Na]+ 313.92104 166.7
[M-H]- 289.92454 152.8
[M+NH4]+ 308.96564 171.4
[M+K]+ 329.89498 155.1
[M+H-H2O]+ 273.92908 149.7
[M+HCOO]- 335.93002 166.9
[M+CH3COO]- 349.94567 195.0
[M+Na-2H]- 311.90649 160.6
[M]+ 290.93127 166.3
[M]- 290.93237 166.3
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.