CID 21875099

488713-31-1

Structural Information

Molecular Formula
C6H4ClN3
SMILES
C1=C(C=NC(=C1Cl)C#N)N
InChI
InChI=1S/C6H4ClN3/c7-5-1-4(9)3-10-6(5)2-8/h1,3H,9H2
InChIKey
GDIBYDQLRIRVCQ-UHFFFAOYSA-N
Compound name
5-amino-3-chloropyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

157
Patents

153.00937 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.01665 129.1
[M+Na]+ 175.99859 141.1
[M-H]- 152.00209 130.9
[M+NH4]+ 171.04319 147.4
[M+K]+ 191.97253 137.0
[M+H-H2O]+ 136.00663 117.3
[M+HCOO]- 198.00757 145.7
[M+CH3COO]- 212.02322 189.1
[M+Na-2H]- 173.98404 135.6
[M]+ 153.00882 124.1
[M]- 153.00992 124.1
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