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]+ 261.07894 157.2
[M+Na]+ 283.06088 164.7
[M-H]- 259.06438 162.1
[M+NH4]+ 278.10548 172.8
[M+K]+ 299.03482 159.1
[M+H-H2O]+ 243.06892 149.3
[M+HCOO]- 305.06986 176.1
[M+CH3COO]- 319.08551 195.7
[M+Na-2H]- 281.04633 163.3
[M]+ 260.07111 158.6
[M]- 260.07221 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.