CID 99770150

1580464-64-7

Structural Information

Molecular Formula
C7H3BrF5N
SMILES
C1=CC(=NC=C1Br)C(C(F)(F)F)(F)F
InChI
InChI=1S/C7H3BrF5N/c8-4-1-2-5(14-3-4)6(9,10)7(11,12)13/h1-3H
InChIKey
JBRRBJLDDWCMJK-UHFFFAOYSA-N
Compound name
5-bromo-2-(1,1,2,2,2-pentafluoroethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.9369 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.94418 150.5
[M+Na]+ 297.92612 163.9
[M-H]- 273.92962 149.9
[M+NH4]+ 292.97072 169.2
[M+K]+ 313.90006 151.9
[M+H-H2O]+ 257.93416 147.0
[M+HCOO]- 319.93510 163.8
[M+CH3COO]- 333.95075 193.2
[M+Na-2H]- 295.91157 157.6
[M]+ 274.93635 162.0
[M]- 274.93745 162.0
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.