CID 137949008

1-(bromomethyl)-1-(2,2-difluoroethyl)cyclobutane

Structural Information

Molecular Formula
C7H11BrF2
SMILES
C1CC(C1)(CC(F)F)CBr
InChI
InChI=1S/C7H11BrF2/c8-5-7(2-1-3-7)4-6(9)10/h6H,1-5H2
InChIKey
MWLYCTLPPWKXMV-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-(2,2-difluoroethyl)cyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.00122 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.00850 134.4
[M+Na]+ 234.99044 143.9
[M-H]- 210.99394 138.1
[M+NH4]+ 230.03504 152.4
[M+K]+ 250.96438 136.5
[M+H-H2O]+ 194.99848 130.3
[M+HCOO]- 256.99942 151.2
[M+CH3COO]- 271.01507 187.8
[M+Na-2H]- 232.97589 140.7
[M]+ 212.00067 156.8
[M]- 212.00177 156.8
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.