CID 6370756

Brn 0165085

Structural Information

Molecular Formula
C11H9NOS2
SMILES
CN1C(=O)/C(=C\C2=CC=CC=C2)/SC1=S
InChI
InChI=1S/C11H9NOS2/c1-12-10(13)9(15-11(12)14)7-8-5-3-2-4-6-8/h2-7H,1H3/b9-7+
InChIKey
WGWHJLDAXAFZNG-VQHVLOKHSA-N
Compound name
(5E)-5-benzylidene-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

235.01256 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.01984 149.2
[M+Na]+ 258.00178 159.7
[M-H]- 234.00528 155.2
[M+NH4]+ 253.04638 168.9
[M+K]+ 273.97572 153.7
[M+H-H2O]+ 218.00982 143.6
[M+HCOO]- 280.01076 161.5
[M+CH3COO]- 294.02641 187.0
[M+Na-2H]- 255.98723 147.0
[M]+ 235.01201 149.7
[M]- 235.01311 149.7
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