CID 145867537

3-bromo-5-(pentafluoroethoxy)pyridine

Structural Information

Molecular Formula
C7H3BrF5NO
SMILES
C1=C(C=NC=C1Br)OC(C(F)(F)F)(F)F
InChI
InChI=1S/C7H3BrF5NO/c8-4-1-5(3-14-2-4)15-7(12,13)6(9,10)11/h1-3H
InChIKey
VXJGERHJYIXZGT-UHFFFAOYSA-N
Compound name
3-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

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.939096 153.4
[M+Na]+ 313.921038 166.7
[M-H]- 289.924544 152.8
[M+NH4]+ 308.965643 171.4
[M+K]+ 329.894978 155.1
[M+H-H2O]+ 273.929080 149.7
[M+HCOO]- 335.930021 166.9
[M+CH3COO]- 349.945671 195.0
[M+Na-2H]- 311.906486 160.6
[M]+ 290.93127142 166.3
[M]- 290.93236858 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.