CID 139034893

1974310-58-1

Structural Information

Molecular Formula
C22H32Br2O8S2
SMILES
COCCOCCOCCOC1=C(SC(=C1)Br)C2=C(C=C(S2)Br)OCCOCCOCCOC
InChI
InChI=1S/C22H32Br2O8S2/c1-25-3-5-27-7-9-29-11-13-31-17-15-19(23)33-21(17)22-18(16-20(24)34-22)32-14-12-30-10-8-28-6-4-26-2/h15-16H,3-14H2,1-2H3
InChIKey
JHRIENKQSLQOMU-UHFFFAOYSA-N
Compound name
5-bromo-2-[5-bromo-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]thiophen-2-yl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

645.99054 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 646.99782 200.2
[M+Na]+ 668.97976 192.3
[M+NH4]+ 664.02436 199.6
[M+K]+ 684.95370 197.9
[M-H]- 644.98326 199.7
[M+Na-2H]- 666.96521 197.9
[M]+ 645.98999 198.1
[M]- 645.99109 198.1
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

patents stripe