CID 3798820

1-(4-methoxyphenyl)-3-(2,3,4-trifluoroanilino)-1-propanone

Structural Information

Molecular Formula
C16H14F3NO2
SMILES
COC1=CC=C(C=C1)C(=O)CCNC2=C(C(=C(C=C2)F)F)F
InChI
InChI=1S/C16H14F3NO2/c1-22-11-4-2-10(3-5-11)14(21)8-9-20-13-7-6-12(17)15(18)16(13)19/h2-7,20H,8-9H2,1H3
InChIKey
CEBZVDRTOMPYFK-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-(2,3,4-trifluoroanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.09766 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10494 167.3
[M+Na]+ 332.08688 175.9
[M-H]- 308.09038 170.4
[M+NH4]+ 327.13148 181.9
[M+K]+ 348.06082 171.1
[M+H-H2O]+ 292.09492 156.6
[M+HCOO]- 354.09586 188.3
[M+CH3COO]- 368.11151 209.8
[M+Na-2H]- 330.07233 168.6
[M]+ 309.09711 166.1
[M]- 309.09821 166.1
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

No patent data available for this compound.