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]+ 252.94927 127.7
[M+Na]+ 274.93121 140.1
[M-H]- 250.93471 135.4
[M+NH4]+ 269.97581 147.0
[M+K]+ 290.90515 131.4
[M+H-H2O]+ 234.93925 123.9
[M+HCOO]- 296.94019 142.9
[M+CH3COO]- 310.95584 191.0
[M+Na-2H]- 272.91666 131.8
[M]+ 251.94144 152.9
[M]- 251.94254 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.