CID 22418004

4-chloropyridine-2,3-diamine

Structural Information

Molecular Formula
C5H6ClN3
SMILES
C1=CN=C(C(=C1Cl)N)N
InChI
InChI=1S/C5H6ClN3/c6-3-1-2-9-5(8)4(3)7/h1-2H,7H2,(H2,8,9)
InChIKey
APGDUAJEMRMIJU-UHFFFAOYSA-N
Compound name
4-chloropyridine-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

217
Patents

143.02502 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.03230 125.6
[M+Na]+ 166.01424 135.7
[M-H]- 142.01774 127.6
[M+NH4]+ 161.05884 146.0
[M+K]+ 181.98818 131.8
[M+H-H2O]+ 126.02228 120.3
[M+HCOO]- 188.02322 146.3
[M+CH3COO]- 202.03887 176.4
[M+Na-2H]- 163.99969 132.4
[M]+ 143.02447 123.7
[M]- 143.02557 123.7
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