CID 45480235

4,5-dichloropyridine-2,3-diamine hydrochloride

Structural Information

Molecular Formula
C5H5Cl2N3
SMILES
C1=C(C(=C(C(=N1)N)N)Cl)Cl
InChI
InChI=1S/C5H5Cl2N3/c6-2-1-10-5(9)4(8)3(2)7/h1H,8H2,(H2,9,10)
InChIKey
GOVJRSTWOQZULF-UHFFFAOYSA-N
Compound name
4,5-dichloropyridine-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

176.98605 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.993326 132.4
[M+Na]+ 199.975268 143.6
[M-H]- 175.978774 133.9
[M+NH4]+ 195.019873 152.0
[M+K]+ 215.949208 138.3
[M+H-H2O]+ 159.983310 128.1
[M+HCOO]- 221.984251 147.9
[M+CH3COO]- 235.999901 182.4
[M+Na-2H]- 197.960716 137.6
[M]+ 176.98550142 131.8
[M]- 176.98659858 131.8
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