CID 71721475

2,5-dibromo-3,4-thiophenedicarboxylic anhydride

Structural Information

Molecular Formula
C6Br2O3S
SMILES
C12=C(SC(=C1C(=O)OC2=O)Br)Br
InChI
InChI=1S/C6Br2O3S/c7-3-1-2(4(8)12-3)6(10)11-5(1)9
InChIKey
OQMJQMGTDSIYNQ-UHFFFAOYSA-N
Compound name
4,6-dibromothieno[3,4-c]furan-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

309.7935 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.800776 135.1
[M+Na]+ 332.782718 150.6
[M-H]- 308.786224 144.8
[M+NH4]+ 327.827323 158.0
[M+K]+ 348.756658 136.9
[M+H-H2O]+ 292.790760 145.7
[M+HCOO]- 354.791701 149.2
[M+CH3COO]- 368.807351 201.4
[M+Na-2H]- 330.768166 140.2
[M]+ 309.79295142 173.0
[M]- 309.79404858 173.0
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

patents stripe