CID 112757065

2703781-90-0

Structural Information

Molecular Formula
C7H2Cl2N2O2
SMILES
C1=C(C(=NC(=C1Cl)Cl)C#N)C(=O)O
InChI
InChI=1S/C7H2Cl2N2O2/c8-4-1-3(7(12)13)5(2-10)11-6(4)9/h1H,(H,12,13)
InChIKey
NDWNIFSCCYCAKI-UHFFFAOYSA-N
Compound name
5,6-dichloro-2-cyanopyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.94933 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.95661 137.6
[M+Na]+ 238.93855 150.7
[M-H]- 214.94205 138.6
[M+NH4]+ 233.98315 154.1
[M+K]+ 254.91249 145.5
[M+H-H2O]+ 198.94659 127.2
[M+HCOO]- 260.94753 147.6
[M+CH3COO]- 274.96318 194.6
[M+Na-2H]- 236.92400 141.7
[M]+ 215.94878 135.6
[M]- 215.94988 135.6
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

No patent data available for this compound.