CID 3744528

1-(4-bromophenyl)-3-(2,3,4-trifluoroanilino)-1-propanone

Structural Information

Molecular Formula
C15H11BrF3NO
SMILES
C1=CC(=CC=C1C(=O)CCNC2=C(C(=C(C=C2)F)F)F)Br
InChI
InChI=1S/C15H11BrF3NO/c16-10-3-1-9(2-4-10)13(21)7-8-20-12-6-5-11(17)14(18)15(12)19/h1-6,20H,7-8H2
InChIKey
GOHWKTXBGTXXIU-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-(2,3,4-trifluoroanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.99762 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.00490 173.7
[M+Na]+ 379.98684 185.2
[M-H]- 355.99034 179.2
[M+NH4]+ 375.03144 190.1
[M+K]+ 395.96078 171.5
[M+H-H2O]+ 339.99488 169.3
[M+HCOO]- 401.99582 192.1
[M+CH3COO]- 416.01147 213.0
[M+Na-2H]- 377.97229 175.9
[M]+ 356.99707 189.1
[M]- 356.99817 189.1
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.