CID 38996207

412923-44-5

Structural Information

Molecular Formula
C9H5BrFNS
SMILES
C1=CC(=CC=C1C2=CSC(=N2)Br)F
InChI
InChI=1S/C9H5BrFNS/c10-9-12-8(5-13-9)6-1-3-7(11)4-2-6/h1-5H
InChIKey
GSCFEPBWOIFTNA-UHFFFAOYSA-N
Compound name
2-bromo-4-(4-fluorophenyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

256.931 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.93828 140.2
[M+Na]+ 279.92022 144.5
[M+NH4]+ 274.96482 146.0
[M+K]+ 295.89416 143.3
[M-H]- 255.92372 141.6
[M+Na-2H]- 277.90567 145.2
[M]+ 256.93045 140.5
[M]- 256.93155 140.5
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

patents stripe