CID 155973841

1-(bromomethyl)-3,3-difluoro-1-(trifluoromethyl)cyclobutane

Structural Information

Molecular Formula
C6H6BrF5
SMILES
C1C(CC1(F)F)(CBr)C(F)(F)F
InChI
InChI=1S/C6H6BrF5/c7-3-4(6(10,11)12)1-5(8,9)2-4/h1-3H2
InChIKey
GMIJPVJHUYZKEW-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3,3-difluoro-1-(trifluoromethyl)cyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.9573 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.964576 140.8
[M+Na]+ 274.946518 153.2
[M-H]- 250.950024 142.1
[M+NH4]+ 269.991123 159.4
[M+K]+ 290.920458 144.8
[M+H-H2O]+ 234.954560 136.6
[M+HCOO]- 296.955501 154.6
[M+CH3COO]- 310.971151 192.6
[M+Na-2H]- 272.931966 147.8
[M]+ 251.95675142 160.0
[M]- 251.95784858 160.0
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.