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]+ 252.96458 140.8
[M+Na]+ 274.94652 153.2
[M-H]- 250.95002 142.1
[M+NH4]+ 269.99112 159.4
[M+K]+ 290.92046 144.8
[M+H-H2O]+ 234.95456 136.6
[M+HCOO]- 296.95550 154.6
[M+CH3COO]- 310.97115 192.6
[M+Na-2H]- 272.93197 147.8
[M]+ 251.95675 160.0
[M]- 251.95785 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.