CID 11819445

135450-44-1

Structural Information

Molecular Formula
C8H8ClNO
SMILES
CC(=O)C1=CC=CC(=N1)CCl
InChI
InChI=1S/C8H8ClNO/c1-6(11)8-4-2-3-7(5-9)10-8/h2-4H,5H2,1H3
InChIKey
YQKSTWSKIKGDPH-UHFFFAOYSA-N
Compound name
1-[6-(chloromethyl)pyridin-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

169.02943 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.03671 130.6
[M+Na]+ 192.01865 140.2
[M-H]- 168.02215 133.1
[M+NH4]+ 187.06325 150.8
[M+K]+ 207.99259 136.9
[M+H-H2O]+ 152.02669 125.2
[M+HCOO]- 214.02763 149.1
[M+CH3COO]- 228.04328 177.9
[M+Na-2H]- 190.00410 137.2
[M]+ 169.02888 133.1
[M]- 169.02998 133.1
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