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

46
Patents

309.7935 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.80078 135.1
[M+Na]+ 332.78272 150.6
[M-H]- 308.78622 144.8
[M+NH4]+ 327.82732 158.0
[M+K]+ 348.75666 136.9
[M+H-H2O]+ 292.79076 145.7
[M+HCOO]- 354.79170 149.2
[M+CH3COO]- 368.80735 201.4
[M+Na-2H]- 330.76817 140.2
[M]+ 309.79295 173.0
[M]- 309.79405 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