CID 2757085

675602-97-8

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]+ 299.943676 148.1
[M+Na]+ 321.925618 160.3
[M-H]- 297.929124 156.8
[M+NH4]+ 316.970223 167.0
[M+K]+ 337.899558 143.8
[M+H-H2O]+ 281.933660 151.0
[M+HCOO]- 343.934601 167.6
[M+CH3COO]- 357.950251 192.0
[M+Na-2H]- 319.911066 154.0
[M]+ 298.93585142 166.0
[M]- 298.93694858 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.