CID 24212828

3-(2-chloro-3-methoxyphenyl)-n-(2,4-difluorophenyl)propanamide

Structural Information

Molecular Formula
C16H14ClF2NO2
SMILES
COC1=CC=CC(=C1Cl)CCC(=O)NC2=C(C=C(C=C2)F)F
InChI
InChI=1S/C16H14ClF2NO2/c1-22-14-4-2-3-10(16(14)17)5-8-15(21)20-13-7-6-11(18)9-12(13)19/h2-4,6-7,9H,5,8H2,1H3,(H,20,21)
InChIKey
ZLSVQYBKUFIGBX-UHFFFAOYSA-N
Compound name
3-(2-chloro-3-methoxyphenyl)-N-(2,4-difluorophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.0681 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.07538 170.1
[M+Na]+ 348.05732 179.6
[M-H]- 324.06082 174.6
[M+NH4]+ 343.10192 185.3
[M+K]+ 364.03126 173.6
[M+H-H2O]+ 308.06536 161.4
[M+HCOO]- 370.06630 187.8
[M+CH3COO]- 384.08195 210.0
[M+Na-2H]- 346.04277 171.7
[M]+ 325.06755 172.4
[M]- 325.06865 172.4
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.