CID 2757085

4-(4-bromo-3-nitrophenyl)thiazol-2-ylamine

Structural Information

Molecular Formula
C9H6BrN3O2S
SMILES
C1=CC(=C(C=C1C2=CSC(=N2)N)[N+](=O)[O-])Br
InChI
InChI=1S/C9H6BrN3O2S/c10-6-2-1-5(3-8(6)13(14)15)7-4-16-9(11)12-7/h1-4H,(H2,11,12)
InChIKey
AELIUOOJSQZFQO-UHFFFAOYSA-N
Compound name
4-(4-bromo-3-nitrophenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.9364 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.94368 148.1
[M+Na]+ 321.92562 160.3
[M-H]- 297.92912 156.8
[M+NH4]+ 316.97022 167.0
[M+K]+ 337.89956 143.8
[M+H-H2O]+ 281.93366 151.0
[M+HCOO]- 343.93460 167.6
[M+CH3COO]- 357.95025 192.0
[M+Na-2H]- 319.91107 154.0
[M]+ 298.93585 166.0
[M]- 298.93695 166.0
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.