CID 4102380

882748-36-9

Structural Information

Molecular Formula
C21H17ClFNO
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCNC3=CC(=C(C=C3)F)Cl
InChI
InChI=1S/C21H17ClFNO/c22-19-14-18(10-11-20(19)23)24-13-12-21(25)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-11,14,24H,12-13H2
InChIKey
KVMVXWVCHPXNJK-UHFFFAOYSA-N
Compound name
3-(3-chloro-4-fluoroanilino)-1-(4-phenylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.09827 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.10555 182.3
[M+Na]+ 376.08749 189.9
[M-H]- 352.09099 190.3
[M+NH4]+ 371.13209 195.4
[M+K]+ 392.06143 182.0
[M+H-H2O]+ 336.09553 172.5
[M+HCOO]- 398.09647 200.3
[M+CH3COO]- 412.11212 192.7
[M+Na-2H]- 374.07294 184.9
[M]+ 353.09772 183.2
[M]- 353.09882 183.2
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.