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)-2-pyridinyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

169.02943 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.036706 130.6
[M+Na]+ 192.018648 140.2
[M-H]- 168.022154 133.1
[M+NH4]+ 187.063253 150.8
[M+K]+ 207.992588 136.9
[M+H-H2O]+ 152.026690 125.2
[M+HCOO]- 214.027631 149.1
[M+CH3COO]- 228.043281 177.9
[M+Na-2H]- 190.004096 137.2
[M]+ 169.02888142 133.1
[M]- 169.02997858 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