CID 3011458

Schembl16974225

Structural Information

Molecular Formula
C12H8BrFN2O
SMILES
C1=CC(=CC(=C1)F)C(=O)NC2=NC=CC(=C2)Br
InChI
InChI=1S/C12H8BrFN2O/c13-9-4-5-15-11(7-9)16-12(17)8-2-1-3-10(14)6-8/h1-7H,(H,15,16,17)
InChIKey
ZGJRGEWSHFGNPB-UHFFFAOYSA-N
Compound name
N-(4-bromopyridin-2-yl)-3-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

293.9804 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.98768 154.9
[M+Na]+ 316.96962 166.0
[M-H]- 292.97312 161.7
[M+NH4]+ 312.01422 172.3
[M+K]+ 332.94356 153.8
[M+H-H2O]+ 276.97766 152.2
[M+HCOO]- 338.97860 175.4
[M+CH3COO]- 352.99425 199.2
[M+Na-2H]- 314.95507 162.0
[M]+ 293.97985 171.5
[M]- 293.98095 171.5
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.