CID 23436968

4-bromo-3-(trifluoromethyl)pyridine hydrochloride

Structural Information

Molecular Formula
C6H3BrF3N
SMILES
C1=CN=CC(=C1Br)C(F)(F)F
InChI
InChI=1S/C6H3BrF3N/c7-5-1-2-11-3-4(5)6(8,9)10/h1-3H
InChIKey
RLVNVSDFDCYSAY-UHFFFAOYSA-N
Compound name
4-bromo-3-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

224.9401 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.947376 136.8
[M+Na]+ 247.929318 150.2
[M-H]- 223.932824 138.7
[M+NH4]+ 242.973923 157.6
[M+K]+ 263.903258 138.9
[M+H-H2O]+ 207.937360 134.9
[M+HCOO]- 269.938301 154.1
[M+CH3COO]- 283.953951 184.5
[M+Na-2H]- 245.914766 145.4
[M]+ 224.93955142 151.2
[M]- 224.94064858 151.2
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