CID 285736

2-chloropyridine-3,4-diamine

Structural Information

Molecular Formula
C5H6ClN3
SMILES
C1=CN=C(C(=C1N)N)Cl
InChI
InChI=1S/C5H6ClN3/c6-5-4(8)3(7)1-2-9-5/h1-2H,8H2,(H2,7,9)
InChIKey
PWOIYBVEDIFBEO-UHFFFAOYSA-N
Compound name
2-chloropyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

448
Patents

143.02502 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.032296 125.6
[M+Na]+ 166.014238 135.7
[M-H]- 142.017744 127.6
[M+NH4]+ 161.058843 146.0
[M+K]+ 181.988178 131.8
[M+H-H2O]+ 126.022280 120.3
[M+HCOO]- 188.023221 146.3
[M+CH3COO]- 202.038871 176.4
[M+Na-2H]- 163.999686 132.4
[M]+ 143.02447142 123.7
[M]- 143.02556858 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