CID 53416175

2,5-dibromopyridine-3,4-diamine

Structural Information

Molecular Formula
C5H5Br2N3
SMILES
C1=C(C(=C(C(=N1)Br)N)N)Br
InChI
InChI=1S/C5H5Br2N3/c6-2-1-10-5(7)4(9)3(2)8/h1H,9H2,(H2,8,10)
InChIKey
WDTOXRACOCNQRB-UHFFFAOYSA-N
Compound name
2,5-dibromopyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

264.885 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.89228 131.9
[M+Na]+ 287.87422 143.2
[M-H]- 263.87772 137.1
[M+NH4]+ 282.91882 150.2
[M+K]+ 303.84816 126.5
[M+H-H2O]+ 247.88226 137.9
[M+HCOO]- 309.88320 148.7
[M+CH3COO]- 323.89885 201.8
[M+Na-2H]- 285.85967 139.0
[M]+ 264.88445 162.7
[M]- 264.88555 162.7
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