CID 24212946

N-(5-chloro-2,4-dimethoxyphenyl)-2,2,2-trifluoroacetamide

Structural Information

Molecular Formula
C10H9ClF3NO3
SMILES
COC1=CC(=C(C=C1NC(=O)C(F)(F)F)Cl)OC
InChI
InChI=1S/C10H9ClF3NO3/c1-17-7-4-8(18-2)6(3-5(7)11)15-9(16)10(12,13)14/h3-4H,1-2H3,(H,15,16)
InChIKey
YDEIYIXMQFOATL-UHFFFAOYSA-N
Compound name
N-(5-chloro-2,4-dimethoxyphenyl)-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.0223 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.02958 152.9
[M+Na]+ 306.01152 163.2
[M-H]- 282.01502 153.5
[M+NH4]+ 301.05612 170.0
[M+K]+ 321.98546 159.7
[M+H-H2O]+ 266.01956 145.6
[M+HCOO]- 328.02050 168.9
[M+CH3COO]- 342.03615 199.8
[M+Na-2H]- 303.99697 156.3
[M]+ 283.02175 154.6
[M]- 283.02285 154.6
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.