CID 4336131

882748-38-1

Structural Information

Molecular Formula
C15H12Cl2FNO
SMILES
C1=CC(=CC=C1C(=O)CCNC2=CC(=C(C=C2)F)Cl)Cl
InChI
InChI=1S/C15H12Cl2FNO/c16-11-3-1-10(2-4-11)15(20)7-8-19-12-5-6-14(18)13(17)9-12/h1-6,9,19H,7-8H2
InChIKey
JKAPHRLZCBBWRE-UHFFFAOYSA-N
Compound name
3-(3-chloro-4-fluoroanilino)-1-(4-chlorophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.02798 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.03526 165.5
[M+Na]+ 334.01720 174.9
[M-H]- 310.02070 170.2
[M+NH4]+ 329.06180 181.4
[M+K]+ 349.99114 167.5
[M+H-H2O]+ 294.02524 158.6
[M+HCOO]- 356.02618 179.3
[M+CH3COO]- 370.04183 206.0
[M+Na-2H]- 332.00265 168.1
[M]+ 311.02743 168.1
[M]- 311.02853 168.1
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.