CID 5151148

2-chloro-n-(5-chloropyridin-2-yl)acetamide

Structural Information

Molecular Formula
C7H6Cl2N2O
SMILES
C1=CC(=NC=C1Cl)NC(=O)CCl
InChI
InChI=1S/C7H6Cl2N2O/c8-3-7(12)11-6-2-1-5(9)4-10-6/h1-2,4H,3H2,(H,10,11,12)
InChIKey
FWIPEIVJWOOWGO-UHFFFAOYSA-N
Compound name
2-chloro-N-(5-chloropyridin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

203.98572 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.99300 137.1
[M+Na]+ 226.97494 146.5
[M-H]- 202.97844 138.9
[M+NH4]+ 222.01954 155.9
[M+K]+ 242.94888 141.9
[M+H-H2O]+ 186.98298 132.1
[M+HCOO]- 248.98392 151.7
[M+CH3COO]- 262.99957 183.7
[M+Na-2H]- 224.96039 143.5
[M]+ 203.98517 139.3
[M]- 203.98627 139.3
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

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