CID 3403604

477320-45-9

Structural Information

Molecular Formula
C15H13BrFNO
SMILES
C1=CC(=CC=C1C(=O)CCNC2=CC=C(C=C2)F)Br
InChI
InChI=1S/C15H13BrFNO/c16-12-3-1-11(2-4-12)15(19)9-10-18-14-7-5-13(17)6-8-14/h1-8,18H,9-10H2
InChIKey
DOTJVVRVTMPACS-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-(4-fluoroanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.01645 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.02373 165.8
[M+Na]+ 344.00567 175.6
[M-H]- 320.00917 173.4
[M+NH4]+ 339.05027 183.3
[M+K]+ 359.97961 162.9
[M+H-H2O]+ 304.01371 163.2
[M+HCOO]- 366.01465 186.5
[M+CH3COO]- 380.03030 205.7
[M+Na-2H]- 341.99112 171.0
[M]+ 321.01590 182.9
[M]- 321.01700 182.9
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.