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

140
Patents

153.00937 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.016646 129.1
[M+Na]+ 175.998588 141.1
[M-H]- 152.002094 130.9
[M+NH4]+ 171.043193 147.4
[M+K]+ 191.972528 137.0
[M+H-H2O]+ 136.006630 117.3
[M+HCOO]- 198.007571 145.7
[M+CH3COO]- 212.023221 189.1
[M+Na-2H]- 173.984036 135.6
[M]+ 153.00882142 124.1
[M]- 153.00991858 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