CID 24212726

853349-77-6

Structural Information

Molecular Formula
C16H10BrFN2O
SMILES
C1=CC=C2C(=C1)C=C(C=N2)NC(=O)C3=C(C=CC(=C3)Br)F
InChI
InChI=1S/C16H10BrFN2O/c17-11-5-6-14(18)13(8-11)16(21)20-12-7-10-3-1-2-4-15(10)19-9-12/h1-9H,(H,20,21)
InChIKey
QTVIKTSWHBNEHX-UHFFFAOYSA-N
Compound name
5-bromo-2-fluoro-N-quinolin-3-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.99606 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.00334 170.0
[M+Na]+ 366.98528 181.3
[M-H]- 342.98878 177.6
[M+NH4]+ 362.02988 186.4
[M+K]+ 382.95922 168.3
[M+H-H2O]+ 326.99332 166.9
[M+HCOO]- 388.99426 188.9
[M+CH3COO]- 403.00991 182.8
[M+Na-2H]- 364.97073 177.1
[M]+ 343.99551 187.1
[M]- 343.99661 187.1
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.