CID 4134654

892155-56-5

Structural Information

Molecular Formula
C16H15ClFNO
SMILES
CC1=C(C=C(C=C1)NCCC(=O)C2=CC=C(C=C2)Cl)F
InChI
InChI=1S/C16H15ClFNO/c1-11-2-7-14(10-15(11)18)19-9-8-16(20)12-3-5-13(17)6-4-12/h2-7,10,19H,8-9H2,1H3
InChIKey
BMMGMORBKXZVJR-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(3-fluoro-4-methylanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.0826 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.08988 164.5
[M+Na]+ 314.07182 173.0
[M-H]- 290.07532 169.9
[M+NH4]+ 309.11642 180.7
[M+K]+ 330.04576 166.7
[M+H-H2O]+ 274.07986 156.7
[M+HCOO]- 336.08080 183.0
[M+CH3COO]- 350.09645 204.7
[M+Na-2H]- 312.05727 167.3
[M]+ 291.08205 166.1
[M]- 291.08315 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.