CID 4608718

477328-92-0

Structural Information

Molecular Formula
C16H15ClFNO2
SMILES
COC1=C(C=C(C=C1)Cl)NCCC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C16H15ClFNO2/c1-21-16-7-4-12(17)10-14(16)19-9-8-15(20)11-2-5-13(18)6-3-11/h2-7,10,19H,8-9H2,1H3
InChIKey
ILMHTEKJKVAYDO-UHFFFAOYSA-N
Compound name
3-(5-chloro-2-methoxyanilino)-1-(4-fluorophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.07755 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.08483 168.0
[M+Na]+ 330.06677 181.9
[M+NH4]+ 325.11137 175.7
[M+K]+ 346.04071 173.6
[M-H]- 306.07027 171.4
[M+Na-2H]- 328.05222 176.1
[M]+ 307.07700 171.2
[M]- 307.07810 171.2
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.