CID 24206879

1211497-06-1

Structural Information

Molecular Formula
C14H13ClN2O
SMILES
C1=CC(=CC=C1CC2=CC=NC=C2)NC(=O)CCl
InChI
InChI=1S/C14H13ClN2O/c15-10-14(18)17-13-3-1-11(2-4-13)9-12-5-7-16-8-6-12/h1-8H,9-10H2,(H,17,18)
InChIKey
PXEMJVFUXKULII-UHFFFAOYSA-N
Compound name
2-chloro-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.07166 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.078936 157.2
[M+Na]+ 283.060878 164.7
[M-H]- 259.064384 162.1
[M+NH4]+ 278.105483 172.8
[M+K]+ 299.034818 159.1
[M+H-H2O]+ 243.068920 149.3
[M+HCOO]- 305.069861 176.1
[M+CH3COO]- 319.085511 195.7
[M+Na-2H]- 281.046326 163.3
[M]+ 260.07111142 158.6
[M]- 260.07220858 158.6
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.