CID 99598

10574-70-6

Structural Information

Molecular Formula
C9H6BrNOS2
SMILES
C1C(=O)N(C(=S)S1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C9H6BrNOS2/c10-6-1-3-7(4-2-6)11-8(12)5-14-9(11)13/h1-4H,5H2
InChIKey
SQELHPVHPKNYGI-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.9074 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.91468 137.8
[M+Na]+ 309.89662 152.6
[M-H]- 285.90012 146.8
[M+NH4]+ 304.94122 159.4
[M+K]+ 325.87056 139.4
[M+H-H2O]+ 269.90466 139.3
[M+HCOO]- 331.90560 149.4
[M+CH3COO]- 345.92125 153.5
[M+Na-2H]- 307.88207 139.8
[M]+ 286.90685 157.1
[M]- 286.90795 157.1
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.