CID 177799080

2-bromo-5-(3,3-difluorocyclobutyl)thiophene

Structural Information

Molecular Formula
C8H7BrF2S
SMILES
C1C(CC1(F)F)C2=CC=C(S2)Br
InChI
InChI=1S/C8H7BrF2S/c9-7-2-1-6(12-7)5-3-8(10,11)4-5/h1-2,5H,3-4H2
InChIKey
DLFZXPRAUVBILB-UHFFFAOYSA-N
Compound name
2-bromo-5-(3,3-difluorocyclobutyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.94199 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.949266 127.7
[M+Na]+ 274.931208 140.1
[M-H]- 250.934714 135.4
[M+NH4]+ 269.975813 147.0
[M+K]+ 290.905148 131.4
[M+H-H2O]+ 234.939250 123.9
[M+HCOO]- 296.940191 142.9
[M+CH3COO]- 310.955841 191.0
[M+Na-2H]- 272.916656 131.8
[M]+ 251.94144142 152.9
[M]- 251.94253858 152.9
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

No patent data available for this compound.