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

literature stripe

Patent stripe

patents stripe