CID 613504

57493-24-0

Structural Information

Molecular Formula
C9H7N3O2S
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)N
InChI
InChI=1S/C9H7N3O2S/c10-9-11-8(5-15-9)6-2-1-3-7(4-6)12(13)14/h1-5H,(H2,10,11)
InChIKey
CHBDOPARQRNCDM-UHFFFAOYSA-N
Compound name
4-(3-nitrophenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

105
Patents

221.0259 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.03318 141.3
[M+Na]+ 244.01512 153.9
[M+NH4]+ 239.05972 149.9
[M+K]+ 259.98906 150.6
[M-H]- 220.01862 146.4
[M+Na-2H]- 242.00057 148.8
[M]+ 221.02535 144.8
[M]- 221.02645 144.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe