CID 3699205

477334-00-2

Structural Information

Molecular Formula
C16H15ClFNO
SMILES
CC1=C(C=C(C=C1)NCCC(=O)C2=CC=C(C=C2)F)Cl
InChI
InChI=1S/C16H15ClFNO/c1-11-2-7-14(10-15(11)17)19-9-8-16(20)12-3-5-13(18)6-4-12/h2-7,10,19H,8-9H2,1H3
InChIKey
PMQMMTKLGZKNBM-UHFFFAOYSA-N
Compound name
3-(3-chloro-4-methylanilino)-1-(4-fluorophenyl)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 165.1
[M+Na]+ 314.07182 179.5
[M+NH4]+ 309.11642 173.4
[M+K]+ 330.04576 170.7
[M-H]- 290.07532 169.0
[M+Na-2H]- 312.05727 173.6
[M]+ 291.08205 168.6
[M]- 291.08315 168.6
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.