CID 6369945

2-mercapto-5-benzylidenethiazol-4-one

Structural Information

Molecular Formula
C10H7NOS2
SMILES
C1=CC=C(C=C1)/C=C/2\C(=O)SC(=S)N2
InChI
InChI=1S/C10H7NOS2/c12-9-8(11-10(13)14-9)6-7-4-2-1-3-5-7/h1-6H,(H,11,13)/b8-6+
InChIKey
MWOXWTTZHVUTKL-SOFGYWHQSA-N
Compound name
(4E)-4-benzylidene-2-sulfanylidene-1,3-thiazolidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.9969 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.00418 145.7
[M+Na]+ 243.98612 155.3
[M-H]- 219.98962 150.0
[M+NH4]+ 239.03072 164.9
[M+K]+ 259.96006 148.7
[M+H-H2O]+ 203.99416 140.3
[M+HCOO]- 265.99510 156.9
[M+CH3COO]- 280.01075 157.8
[M+Na-2H]- 241.97157 144.2
[M]+ 220.99635 143.7
[M]- 220.99745 143.7
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