CID 2140423

359648-35-4

Structural Information

Molecular Formula
C12H10BrNOS2
SMILES
CCN1C(=O)/C(=C\C2=CC(=CC=C2)Br)/SC1=S
InChI
InChI=1S/C12H10BrNOS2/c1-2-14-11(15)10(17-12(14)16)7-8-4-3-5-9(13)6-8/h3-7H,2H2,1H3/b10-7+
InChIKey
LYEQQFWNXRSVHZ-JXMROGBWSA-N
Compound name
(5E)-5-[(3-bromophenyl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.93872 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.94600 149.3
[M+Na]+ 349.92794 163.8
[M-H]- 325.93144 158.1
[M+NH4]+ 344.97254 169.6
[M+K]+ 365.90188 149.3
[M+H-H2O]+ 309.93598 150.4
[M+HCOO]- 371.93692 160.0
[M+CH3COO]- 385.95257 200.2
[M+Na-2H]- 347.91339 149.3
[M]+ 326.93817 169.2
[M]- 326.93927 169.2
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.