CID 86725367

5-bromo-2,6-dichloropyridine-3,4-diamine

Structural Information

Molecular Formula
C5H4BrCl2N3
SMILES
C1(=C(C(=NC(=C1Br)Cl)Cl)N)N
InChI
InChI=1S/C5H4BrCl2N3/c6-1-2(9)3(10)5(8)11-4(1)7/h10H2,(H2,9,11)
InChIKey
CFNZPAJPHXQQRY-UHFFFAOYSA-N
Compound name
5-bromo-2,6-dichloropyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

254.89658 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.90386 139.0
[M+Na]+ 277.88580 154.1
[M-H]- 253.88930 143.3
[M+NH4]+ 272.93040 159.3
[M+K]+ 293.85974 139.2
[M+H-H2O]+ 237.89384 139.6
[M+HCOO]- 299.89478 152.2
[M+CH3COO]- 313.91043 193.3
[M+Na-2H]- 275.87125 144.7
[M]+ 254.89603 156.9
[M]- 254.89713 156.9
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