CID 2800003

2-chloropyridine-4-carbonyl chloride

Structural Information

Molecular Formula
C6H3Cl2NO
SMILES
C1=CN=C(C=C1C(=O)Cl)Cl
InChI
InChI=1S/C6H3Cl2NO/c7-5-3-4(6(8)10)1-2-9-5/h1-3H
InChIKey
NPRZWOJTSGFSBF-UHFFFAOYSA-N
Compound name
2-chloropyridine-4-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

862
Patents

174.95917 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.966446 126.7
[M+Na]+ 197.948388 137.3
[M-H]- 173.951894 128.7
[M+NH4]+ 192.992993 146.9
[M+K]+ 213.922328 133.1
[M+H-H2O]+ 157.956430 122.3
[M+HCOO]- 219.957371 140.6
[M+CH3COO]- 233.973021 176.8
[M+Na-2H]- 195.933836 133.5
[M]+ 174.95862142 129.3
[M]- 174.95971858 129.3
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