CID 90285674

5-bromo-3-(trifluoromethoxy)pyridin-2-amine

Structural Information

Molecular Formula
C6H4BrF3N2O
SMILES
C1=C(C=NC(=C1OC(F)(F)F)N)Br
InChI
InChI=1S/C6H4BrF3N2O/c7-3-1-4(5(11)12-2-3)13-6(8,9)10/h1-2H,(H2,11,12)
InChIKey
KALZNRMUOHPSCU-UHFFFAOYSA-N
Compound name
5-bromo-3-(trifluoromethoxy)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

255.9459 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.95318 143.9
[M+Na]+ 278.93512 157.0
[M-H]- 254.93862 145.4
[M+NH4]+ 273.97972 163.0
[M+K]+ 294.90906 145.3
[M+H-H2O]+ 238.94316 141.0
[M+HCOO]- 300.94410 161.6
[M+CH3COO]- 314.95975 191.3
[M+Na-2H]- 276.92057 150.9
[M]+ 255.94535 158.1
[M]- 255.94645 158.1
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