CID 595779

90323-06-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
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 142.4
[M+Na]+ 244.01512 150.7
[M-H]- 220.01862 148.5
[M+NH4]+ 239.05972 160.4
[M+K]+ 259.98906 142.8
[M+H-H2O]+ 204.02316 139.8
[M+HCOO]- 266.02410 164.2
[M+CH3COO]- 280.03975 181.0
[M+Na-2H]- 242.00057 147.3
[M]+ 221.02535 140.6
[M]- 221.02645 140.6
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

patents stripe