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]+ 272.94921 141.6
[M+Na]+ 294.93115 156.2
[M-H]- 270.93465 149.3
[M+NH4]+ 289.97575 162.9
[M+K]+ 310.90509 143.1
[M+H-H2O]+ 254.93919 140.6
[M+HCOO]- 316.94013 159.5
[M+CH3COO]- 330.95578 157.3
[M+Na-2H]- 292.91660 145.3
[M]+ 271.94138 159.9
[M]- 271.94248 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.