CID 2799996

2,5-dichloropyridine-3-carbonyl chloride

Structural Information

Molecular Formula
C6H2Cl3NO
SMILES
C1=C(C=NC(=C1C(=O)Cl)Cl)Cl
InChI
InChI=1S/C6H2Cl3NO/c7-3-1-4(6(9)11)5(8)10-2-3/h1-2H
InChIKey
VRJMAKCJTSZUQR-UHFFFAOYSA-N
Compound name
2,5-dichloropyridine-3-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

159
Patents

208.9202 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.92748 135.5
[M+Na]+ 231.90942 151.0
[M+NH4]+ 226.95402 144.4
[M+K]+ 247.88336 143.5
[M-H]- 207.91292 136.8
[M+Na-2H]- 229.89487 143.0
[M]+ 208.91965 139.0
[M]- 208.92075 139.0
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