CID 53407911

4-(bromomethyl)-2-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C7H5BrF3N
SMILES
C1=CN=C(C=C1CBr)C(F)(F)F
InChI
InChI=1S/C7H5BrF3N/c8-4-5-1-2-12-6(3-5)7(9,10)11/h1-3H,4H2
InChIKey
VWTBXNAMQSCYSL-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-2-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

238.95575 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.96303 150.7
[M+Na]+ 261.94497 152.7
[M+NH4]+ 256.98957 153.7
[M+K]+ 277.91891 152.1
[M-H]- 237.94847 147.1
[M+Na-2H]- 259.93042 152.7
[M]+ 238.95520 148.8
[M]- 238.95630 148.8
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

patents stripe