CID 10797730

2-chloro-1-(6-chloropyridin-3-yl)ethanone

Structural Information

Molecular Formula
C7H5Cl2NO
SMILES
C1=CC(=NC=C1C(=O)CCl)Cl
InChI
InChI=1S/C7H5Cl2NO/c8-3-6(11)5-1-2-7(9)10-4-5/h1-2,4H,3H2
InChIKey
PALWQAXUGVUEIR-UHFFFAOYSA-N
Compound name
2-chloro-1-(6-chloropyridin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

188.97482 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.98210 131.4
[M+Na]+ 211.96404 141.6
[M-H]- 187.96754 133.2
[M+NH4]+ 207.00864 151.0
[M+K]+ 227.93798 137.1
[M+H-H2O]+ 171.97208 126.7
[M+HCOO]- 233.97302 145.0
[M+CH3COO]- 247.98867 179.7
[M+Na-2H]- 209.94949 137.7
[M]+ 188.97427 134.4
[M]- 188.97537 134.4
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