CID 13492641

5,6-dichloropyridine-2,3-diamine

Structural Information

Molecular Formula
C5H5Cl2N3
SMILES
C1=C(C(=NC(=C1Cl)Cl)N)N
InChI
InChI=1S/C5H5Cl2N3/c6-2-1-3(8)5(9)10-4(2)7/h1H,8H2,(H2,9,10)
InChIKey
CHGCWQGIACIHHI-UHFFFAOYSA-N
Compound name
5,6-dichloropyridine-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

176.98605 Da
Monoisotopic Mass

1.4
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

literature stripe

Patent stripe

patents stripe