CID 211698

23517-66-0

Structural Information

Molecular Formula
C12H12BrNOS2
SMILES
CCC1C(=O)N(C(=S)S1)C2=CC(=C(C=C2)Br)C
InChI
InChI=1S/C12H12BrNOS2/c1-3-10-11(15)14(12(16)17-10)8-4-5-9(13)7(2)6-8/h4-6,10H,3H2,1-2H3
InChIKey
FSVONSYQAPAJBM-UHFFFAOYSA-N
Compound name
3-(4-bromo-3-methylphenyl)-5-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.95438 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.96166 149.1
[M+Na]+ 351.94360 163.9
[M-H]- 327.94710 158.1
[M+NH4]+ 346.98820 169.6
[M+K]+ 367.91754 150.0
[M+H-H2O]+ 311.95164 150.3
[M+HCOO]- 373.95258 159.6
[M+CH3COO]- 387.96823 202.7
[M+Na-2H]- 349.92905 148.7
[M]+ 328.95383 170.0
[M]- 328.95493 170.0
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.