CID 66524537

Thiophene, 2,5-dibromo-3-[2-(2-methoxyethoxy)ethoxy]-

Structural Information

Molecular Formula
C9H12Br2O3S
SMILES
COCCOCCOC1=C(SC(=C1)Br)Br
InChI
InChI=1S/C9H12Br2O3S/c1-12-2-3-13-4-5-14-7-6-8(10)15-9(7)11/h6H,2-5H2,1H3
InChIKey
OKMDLJUUIYXCAA-UHFFFAOYSA-N
Compound name
2,5-dibromo-3-[2-(2-methoxyethoxy)ethoxy]thiophene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

357.8874 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.89468 144.8
[M+Na]+ 380.87662 157.0
[M-H]- 356.88012 152.1
[M+NH4]+ 375.92122 164.6
[M+K]+ 396.85056 141.8
[M+H-H2O]+ 340.88466 152.9
[M+HCOO]- 402.88560 158.8
[M+CH3COO]- 416.90125 209.0
[M+Na-2H]- 378.86207 149.2
[M]+ 357.88685 184.7
[M]- 357.88795 184.7
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