CID 3532749

N-(3-bromophenyl)-3-fluorobenzamide

Structural Information

Molecular Formula
C13H9BrFNO
SMILES
C1=CC(=CC(=C1)F)C(=O)NC2=CC(=CC=C2)Br
InChI
InChI=1S/C13H9BrFNO/c14-10-4-2-6-12(8-10)16-13(17)9-3-1-5-11(15)7-9/h1-8H,(H,16,17)
InChIKey
ZOTYGAKBXXZPLU-UHFFFAOYSA-N
Compound name
N-(3-bromophenyl)-3-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

292.98514 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.99242 156.7
[M+Na]+ 315.97436 167.5
[M-H]- 291.97786 164.7
[M+NH4]+ 311.01896 175.4
[M+K]+ 331.94830 155.2
[M+H-H2O]+ 275.98240 154.6
[M+HCOO]- 337.98334 178.1
[M+CH3COO]- 351.99899 199.5
[M+Na-2H]- 313.95981 163.0
[M]+ 292.98459 173.1
[M]- 292.98569 173.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe