CID 58387568

1-(2-chloro-5-nitropyridin-4-yl)ethanone

Structural Information

Molecular Formula
C7H5ClN2O3
SMILES
CC(=O)C1=CC(=NC=C1[N+](=O)[O-])Cl
InChI
InChI=1S/C7H5ClN2O3/c1-4(11)5-2-7(8)9-3-6(5)10(12)13/h2-3H,1H3
InChIKey
JTDNETFVCNGPOP-UHFFFAOYSA-N
Compound name
1-(2-chloro-5-nitropyridin-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

199.99887 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00615 134.8
[M+Na]+ 222.98809 149.2
[M+NH4]+ 218.03269 142.6
[M+K]+ 238.96203 146.2
[M-H]- 198.99159 137.0
[M+Na-2H]- 220.97354 141.2
[M]+ 199.99832 137.6
[M]- 199.99942 137.6
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

patents stripe