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

18
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 137.6
[M+Na]+ 279.92022 152.6
[M-H]- 255.92372 145.8
[M+NH4]+ 274.96482 160.1
[M+K]+ 295.89416 140.5
[M+H-H2O]+ 239.92826 137.5
[M+HCOO]- 301.92920 155.4
[M+CH3COO]- 315.94485 154.0
[M+Na-2H]- 277.90567 142.4
[M]+ 256.93045 157.4
[M]- 256.93155 157.4
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

patents stripe