CID 3850964

303061-74-7

Structural Information

Molecular Formula
C21H15Br2FN2O2
SMILES
C1=CC(=CC(=C1)Br)C(=O)NC(C2=CC=C(C=C2)F)NC(=O)C3=CC(=CC=C3)Br
InChI
InChI=1S/C21H15Br2FN2O2/c22-16-5-1-3-14(11-16)20(27)25-19(13-7-9-18(24)10-8-13)26-21(28)15-4-2-6-17(23)12-15/h1-12,19H,(H,25,27)(H,26,28)
InChIKey
XNFFLCQIICVWIL-UHFFFAOYSA-N
Compound name
3-bromo-N-[[(3-bromobenzoyl)amino]-(4-fluorophenyl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.94843 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.95571 194.6
[M+Na]+ 526.93765 200.3
[M-H]- 502.94115 203.5
[M+NH4]+ 521.98225 205.1
[M+K]+ 542.91159 184.2
[M+H-H2O]+ 486.94569 198.1
[M+HCOO]- 548.94663 208.0
[M+CH3COO]- 562.96228 235.5
[M+Na-2H]- 524.92310 195.7
[M]+ 503.94788 225.3
[M]- 503.94898 225.3
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.