CID 53393182

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

Structural Information

Molecular Formula
C7H5BrF3NO
SMILES
COC1=C(C=C(C=N1)Br)C(F)(F)F
InChI
InChI=1S/C7H5BrF3NO/c1-13-6-5(7(9,10)11)2-4(8)3-12-6/h2-3H,1H3
InChIKey
ZIOFHXRZJCIBCO-UHFFFAOYSA-N
Compound name
5-bromo-2-methoxy-3-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

254.95065 Da
Monoisotopic Mass

2.7
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

literature stripe

Patent stripe

patents stripe