CID 3039489

50682-37-6

Structural Information

Molecular Formula
C9H7NO2S
SMILES
C1=CC=C(C=C1)C2=C(NC(=O)S2)O
InChI
InChI=1S/C9H7NO2S/c11-8-7(13-9(12)10-8)6-4-2-1-3-5-6/h1-5,11H,(H,10,12)
InChIKey
AEHPJDLDBJGKAY-UHFFFAOYSA-N
Compound name
4-hydroxy-5-phenyl-3H-1,3-thiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

193.01974 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.02702 138.4
[M+Na]+ 216.00896 151.3
[M+NH4]+ 211.05356 146.9
[M+K]+ 231.98290 145.1
[M-H]- 192.01246 140.9
[M+Na-2H]- 213.99441 145.4
[M]+ 193.01919 141.3
[M]- 193.02029 141.3
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