CID 53407909

4-bromopyridine-2,3-diamine

Structural Information

Molecular Formula
C5H6BrN3
SMILES
C1=CN=C(C(=C1Br)N)N
InChI
InChI=1S/C5H6BrN3/c6-3-1-2-9-5(8)4(3)7/h1-2H,7H2,(H2,8,9)
InChIKey
VDWHUTJUOZXVQW-UHFFFAOYSA-N
Compound name
4-bromopyridine-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
Patents

186.9745 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.98178 128.2
[M+Na]+ 209.96372 140.3
[M-H]- 185.96722 132.8
[M+NH4]+ 205.00832 149.3
[M+K]+ 225.93766 128.7
[M+H-H2O]+ 169.97176 127.1
[M+HCOO]- 231.97270 150.8
[M+CH3COO]- 245.98835 183.1
[M+Na-2H]- 207.94917 136.5
[M]+ 186.97395 143.0
[M]- 186.97505 143.0
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