CID 45055343

4-(4-(methylthio)phenyl)-1,3-thiazol-2-ol

Structural Information

Molecular Formula
C10H9NOS2
SMILES
CSC1=CC=C(C=C1)C2=CSC(=O)N2
InChI
InChI=1S/C10H9NOS2/c1-13-8-4-2-7(3-5-8)9-6-14-10(12)11-9/h2-6H,1H3,(H,11,12)
InChIKey
SZDBQEQTVAZKTM-UHFFFAOYSA-N
Compound name
4-(4-methylsulfanylphenyl)-3H-1,3-thiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.01256 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.01984 143.7
[M+Na]+ 246.00178 154.8
[M-H]- 222.00528 148.8
[M+NH4]+ 241.04638 163.2
[M+K]+ 261.97572 148.8
[M+H-H2O]+ 206.00982 138.2
[M+HCOO]- 268.01076 157.4
[M+CH3COO]- 282.02641 156.9
[M+Na-2H]- 243.98723 144.0
[M]+ 223.01201 145.8
[M]- 223.01311 145.8
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.