CID 53416743

2-chloro-1-(3-methylpyridin-2-yl)ethanone

Structural Information

Molecular Formula
C8H8ClNO
SMILES
CC1=C(N=CC=C1)C(=O)CCl
InChI
InChI=1S/C8H8ClNO/c1-6-3-2-4-10-8(6)7(11)5-9/h2-4H,5H2,1H3
InChIKey
MRKZHKSNVNESSQ-UHFFFAOYSA-N
Compound name
2-chloro-1-(3-methylpyridin-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.02943 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.03671 131.6
[M+Na]+ 192.01865 146.0
[M+NH4]+ 187.06325 140.5
[M+K]+ 207.99259 139.0
[M-H]- 168.02215 133.3
[M+Na-2H]- 190.00410 139.2
[M]+ 169.02888 134.4
[M]- 169.02998 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

No patent data available for this compound.