CID 37859504

2,5-dibromo-4-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C6H2Br2F3N
SMILES
C1=C(C(=CN=C1Br)Br)C(F)(F)F
InChI
InChI=1S/C6H2Br2F3N/c7-4-2-12-5(8)1-3(4)6(9,10)11/h1-2H
InChIKey
JKLDXTVIVWCPBX-UHFFFAOYSA-N
Compound name
2,5-dibromo-4-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

302.85062 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.85790 142.9
[M+Na]+ 325.83984 155.7
[M-H]- 301.84334 146.3
[M+NH4]+ 320.88444 161.3
[M+K]+ 341.81378 139.8
[M+H-H2O]+ 285.84788 149.5
[M+HCOO]- 347.84882 155.7
[M+CH3COO]- 361.86447 202.9
[M+Na-2H]- 323.82529 150.2
[M]+ 302.85007 173.6
[M]- 302.85117 173.6
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

patents stripe