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

757
Patents

174.95917 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.96645 126.7
[M+Na]+ 197.94839 137.3
[M-H]- 173.95189 128.7
[M+NH4]+ 192.99299 146.9
[M+K]+ 213.92233 133.1
[M+H-H2O]+ 157.95643 122.3
[M+HCOO]- 219.95737 140.6
[M+CH3COO]- 233.97302 176.8
[M+Na-2H]- 195.93384 133.5
[M]+ 174.95862 129.3
[M]- 174.95972 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