CID 4251204

1-(4-bromophenyl)-3-(2,5-difluoroanilino)-1-propanone

Structural Information

Molecular Formula
C15H12BrF2NO
SMILES
C1=CC(=CC=C1C(=O)CCNC2=C(C=CC(=C2)F)F)Br
InChI
InChI=1S/C15H12BrF2NO/c16-11-3-1-10(2-4-11)15(20)7-8-19-14-9-12(17)5-6-13(14)18/h1-6,9,19H,7-8H2
InChIKey
BTUYDQAHKXCEGP-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-(2,5-difluoroanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.00702 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.01430 169.8
[M+Na]+ 361.99624 180.4
[M-H]- 337.99974 176.3
[M+NH4]+ 357.04084 186.7
[M+K]+ 377.97018 167.2
[M+H-H2O]+ 322.00428 166.2
[M+HCOO]- 384.00522 189.3
[M+CH3COO]- 398.02087 209.3
[M+Na-2H]- 359.98169 173.4
[M]+ 339.00647 186.0
[M]- 339.00757 186.0
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.