CID 59834821

3-(bromomethyl)-2-methyl-6-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C8H7BrF3N
SMILES
CC1=C(C=CC(=N1)C(F)(F)F)CBr
InChI
InChI=1S/C8H7BrF3N/c1-5-6(4-9)2-3-7(13-5)8(10,11)12/h2-3H,4H2,1H3
InChIKey
UBILXBRMQFSGML-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-2-methyl-6-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

252.9714 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.978676 145.7
[M+Na]+ 275.960618 159.2
[M-H]- 251.964124 147.6
[M+NH4]+ 271.005223 165.8
[M+K]+ 291.934558 147.4
[M+H-H2O]+ 235.968660 143.6
[M+HCOO]- 297.969601 162.3
[M+CH3COO]- 311.985251 191.2
[M+Na-2H]- 273.946066 152.6
[M]+ 252.97085142 161.1
[M]- 252.97194858 161.1
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