CID 72217542

1393548-17-8

Structural Information

Molecular Formula
C8H8ClNO
SMILES
CC1=C(C=CC(=N1)C(=O)C)Cl
InChI
InChI=1S/C8H8ClNO/c1-5-7(9)3-4-8(10-5)6(2)11/h3-4H,1-2H3
InChIKey
MVANOOSQRMJBMG-UHFFFAOYSA-N
Compound name
1-(5-chloro-6-methyl-2-pyridinyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

169.02943 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.036706 129.8
[M+Na]+ 192.018648 140.4
[M-H]- 168.022154 132.7
[M+NH4]+ 187.063253 150.4
[M+K]+ 207.992588 137.1
[M+H-H2O]+ 152.026690 124.8
[M+HCOO]- 214.027631 148.3
[M+CH3COO]- 228.043281 179.0
[M+Na-2H]- 190.004096 135.8
[M]+ 169.02888142 132.7
[M]- 169.02997858 132.7
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