CID 57634177

5-bromo-3-methoxy-2-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C7H5BrF3NO
SMILES
COC1=C(N=CC(=C1)Br)C(F)(F)F
InChI
InChI=1S/C7H5BrF3NO/c1-13-5-2-4(8)3-12-6(5)7(9,10)11/h2-3H,1H3
InChIKey
PNGHLWFANAWPAO-UHFFFAOYSA-N
Compound name
5-bromo-3-methoxy-2-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

254.95065 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.95793 143.9
[M+Na]+ 277.93987 157.6
[M-H]- 253.94337 146.0
[M+NH4]+ 272.98447 163.8
[M+K]+ 293.91381 146.6
[M+H-H2O]+ 237.94791 141.8
[M+HCOO]- 299.94885 161.0
[M+CH3COO]- 313.96450 190.2
[M+Na-2H]- 275.92532 151.3
[M]+ 254.95010 160.3
[M]- 254.95120 160.3
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