CID 728690

3,6-dichloropyridine-2-carbonitrile

Structural Information

Molecular Formula
C6H2Cl2N2
SMILES
C1=CC(=NC(=C1Cl)C#N)Cl
InChI
InChI=1S/C6H2Cl2N2/c7-4-1-2-6(8)10-5(4)3-9/h1-2H
InChIKey
AFSVHZPQZBOZDK-UHFFFAOYSA-N
Compound name
3,6-dichloropyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

55
Patents

171.9595 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.96678 128.4
[M+Na]+ 194.94872 141.7
[M-H]- 170.95222 130.2
[M+NH4]+ 189.99332 147.0
[M+K]+ 210.92266 136.3
[M+H-H2O]+ 154.95676 117.6
[M+HCOO]- 216.95770 140.2
[M+CH3COO]- 230.97335 189.7
[M+Na-2H]- 192.93417 135.2
[M]+ 171.95895 125.9
[M]- 171.96005 125.9
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