CID 80222922

1-(5-chloropyridin-2-yl)butan-1-one

Structural Information

Molecular Formula
C9H10ClNO
SMILES
CCCC(=O)C1=NC=C(C=C1)Cl
InChI
InChI=1S/C9H10ClNO/c1-2-3-9(12)8-5-4-7(10)6-11-8/h4-6H,2-3H2,1H3
InChIKey
CCLBPFDHVNVILW-UHFFFAOYSA-N
Compound name
1-(5-chloropyridin-2-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.04509 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.05237 135.3
[M+Na]+ 206.03431 144.5
[M-H]- 182.03781 137.6
[M+NH4]+ 201.07891 155.0
[M+K]+ 222.00825 140.9
[M+H-H2O]+ 166.04235 129.7
[M+HCOO]- 228.04329 153.5
[M+CH3COO]- 242.05894 180.9
[M+Na-2H]- 204.01976 141.3
[M]+ 183.04454 138.2
[M]- 183.04564 138.2
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

No patent data available for this compound.