CID 12853559

83631-55-4

Structural Information

Molecular Formula
C9H7NOS
SMILES
C1=CC=C(C=C1)C2=CNC(=O)S2
InChI
InChI=1S/C9H7NOS/c11-9-10-6-8(12-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)
InChIKey
JGLDQLVRYJRBBW-UHFFFAOYSA-N
Compound name
5-phenyl-3H-1,3-thiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

177.02484 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.03212 133.5
[M+Na]+ 200.01406 143.8
[M-H]- 176.01756 138.7
[M+NH4]+ 195.05866 154.2
[M+K]+ 215.98800 139.4
[M+H-H2O]+ 160.02210 127.5
[M+HCOO]- 222.02304 153.1
[M+CH3COO]- 236.03869 147.7
[M+Na-2H]- 197.99951 137.1
[M]+ 177.02429 133.9
[M]- 177.02539 133.9
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