CID 32476

Ra(sub 17)

Structural Information

Molecular Formula
C12H9NO3S2
SMILES
C1CSC2=C(S1)C(=O)N(C2=O)C3=CC=C(C=C3)O
InChI
InChI=1S/C12H9NO3S2/c14-8-3-1-7(2-4-8)13-11(15)9-10(12(13)16)18-6-5-17-9/h1-4,14H,5-6H2
InChIKey
IDMHFACAUBBLJQ-UHFFFAOYSA-N
Compound name
6-(4-hydroxyphenyl)-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.00238 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.00966 157.3
[M+Na]+ 301.99160 167.1
[M-H]- 277.99510 162.5
[M+NH4]+ 297.03620 175.2
[M+K]+ 317.96554 161.6
[M+H-H2O]+ 261.99964 152.3
[M+HCOO]- 324.00058 166.7
[M+CH3COO]- 338.01623 168.9
[M+Na-2H]- 299.97705 157.0
[M]+ 279.00183 158.2
[M]- 279.00293 158.2
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.