CID 131188929

5-(bromomethyl)-3-fluoro-2-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C7H4BrF4N
SMILES
C1=C(C=NC(=C1F)C(F)(F)F)CBr
InChI
InChI=1S/C7H4BrF4N/c8-2-4-1-5(9)6(13-3-4)7(10,11)12/h1,3H,2H2
InChIKey
SOCBBELZOGGIPZ-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-3-fluoro-2-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.94632 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.95360 145.0
[M+Na]+ 279.93554 158.8
[M-H]- 255.93904 145.8
[M+NH4]+ 274.98014 164.8
[M+K]+ 295.90948 146.9
[M+H-H2O]+ 239.94358 142.1
[M+HCOO]- 301.94452 160.9
[M+CH3COO]- 315.96017 191.1
[M+Na-2H]- 277.92099 151.7
[M]+ 256.94577 158.8
[M]- 256.94687 158.8
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.