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 167.5
[M+Na]+ 330.06677 175.9
[M-H]- 306.07027 172.9
[M+NH4]+ 325.11137 183.0
[M+K]+ 346.04071 170.2
[M+H-H2O]+ 290.07481 159.5
[M+HCOO]- 352.07575 186.2
[M+CH3COO]- 366.09140 206.8
[M+Na-2H]- 328.05222 170.4
[M]+ 307.07700 170.5
[M]- 307.07810 170.5
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.