CID 131616641

5-bromo-4-chloro-3-fluoropyridin-2-amine

Structural Information

Molecular Formula
C5H3BrClFN2
SMILES
C1=C(C(=C(C(=N1)N)F)Cl)Br
InChI
InChI=1S/C5H3BrClFN2/c6-2-1-10-5(9)4(8)3(2)7/h1H,(H2,9,10)
InChIKey
IXUAQKVNFSBWNW-UHFFFAOYSA-N
Compound name
5-bromo-4-chloro-3-fluoropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

223.91522 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.92250 131.9
[M+Na]+ 246.90444 146.8
[M-H]- 222.90794 136.0
[M+NH4]+ 241.94904 153.4
[M+K]+ 262.87838 133.5
[M+H-H2O]+ 206.91248 131.6
[M+HCOO]- 268.91342 148.8
[M+CH3COO]- 282.92907 186.3
[M+Na-2H]- 244.88989 139.4
[M]+ 223.91467 149.5
[M]- 223.91577 149.5
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