CID 82963578

4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-amine hydrobromide

Structural Information

Molecular Formula
C9H6BrFN2S
SMILES
C1=CC(=C(C=C1Br)C2=CSC(=N2)N)F
InChI
InChI=1S/C9H6BrFN2S/c10-5-1-2-7(11)6(3-5)8-4-14-9(12)13-8/h1-4H,(H2,12,13)
InChIKey
MPEAZVMWLJWOEH-UHFFFAOYSA-N
Compound name
4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.94193 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.949206 141.6
[M+Na]+ 294.931148 156.2
[M-H]- 270.934654 149.3
[M+NH4]+ 289.975753 162.9
[M+K]+ 310.905088 143.1
[M+H-H2O]+ 254.939190 140.6
[M+HCOO]- 316.940131 159.5
[M+CH3COO]- 330.955781 157.3
[M+Na-2H]- 292.916596 145.3
[M]+ 271.94138142 159.9
[M]- 271.94247858 159.9
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.