CID 118542755

5,5'-dibromo-3,3'-difluoro-2,2'-bithiophene

Structural Information

Molecular Formula
C8H2Br2F2S2
SMILES
C1=C(SC(=C1F)C2=C(C=C(S2)Br)F)Br
InChI
InChI=1S/C8H2Br2F2S2/c9-5-1-3(11)7(13-5)8-4(12)2-6(10)14-8/h1-2H
InChIKey
FEFQRVDSNOVCNZ-UHFFFAOYSA-N
Compound name
5-bromo-2-(5-bromo-3-fluorothiophen-2-yl)-3-fluorothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

357.79327 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.80055 133.4
[M+Na]+ 380.78249 151.0
[M-H]- 356.78599 143.1
[M+NH4]+ 375.82709 155.8
[M+K]+ 396.75643 134.3
[M+H-H2O]+ 340.79053 142.5
[M+HCOO]- 402.79147 145.1
[M+CH3COO]- 416.80712 150.0
[M+Na-2H]- 378.76794 136.1
[M]+ 357.79272 169.6
[M]- 357.79382 169.6
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