CID 986164

3-bromo-n-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide

Structural Information

Molecular Formula
C16H10BrFN2OS
SMILES
C1=CC(=CC(=C1)Br)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)F
InChI
InChI=1S/C16H10BrFN2OS/c17-12-3-1-2-11(8-12)15(21)20-16-19-14(9-22-16)10-4-6-13(18)7-5-10/h1-9H,(H,19,20,21)
InChIKey
QNIXSKQGAQGNQT-UHFFFAOYSA-N
Compound name
3-bromo-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.9681 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.97538 170.1
[M+Na]+ 398.95732 182.6
[M-H]- 374.96082 180.7
[M+NH4]+ 394.00192 187.0
[M+K]+ 414.93126 169.0
[M+H-H2O]+ 358.96536 168.0
[M+HCOO]- 420.96630 187.2
[M+CH3COO]- 434.98195 183.7
[M+Na-2H]- 396.94277 172.6
[M]+ 375.96755 189.4
[M]- 375.96865 189.4
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.