CID 11689426

(r)-5-bromo-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)pyridin-2-amine

Structural Information

Molecular Formula
C13H10BrCl2FN2O
SMILES
C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)Br)N
InChI
InChI=1S/C13H10BrCl2FN2O/c1-6(11-8(15)2-3-9(17)12(11)16)20-10-4-7(14)5-19-13(10)18/h2-6H,1H3,(H2,18,19)/t6-/m1/s1
InChIKey
URFUZAZEKBBCEY-ZCFIWIBFSA-N
Compound name
5-bromo-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

147
Patents

377.93375 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.94103 169.1
[M+Na]+ 400.92297 183.4
[M-H]- 376.92647 175.3
[M+NH4]+ 395.96757 185.2
[M+K]+ 416.89691 168.3
[M+H-H2O]+ 360.93101 167.7
[M+HCOO]- 422.93195 179.2
[M+CH3COO]- 436.94760 213.5
[M+Na-2H]- 398.90842 171.7
[M]+ 377.93320 189.9
[M]- 377.93430 189.9
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

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