CID 84669805

4-bromo-1,1-difluoro-3,3-dimethylbutane

Structural Information

Molecular Formula
C6H11BrF2
SMILES
CC(C)(CC(F)F)CBr
InChI
InChI=1S/C6H11BrF2/c1-6(2,4-7)3-5(8)9/h5H,3-4H2,1-2H3
InChIKey
KDOWVQVZWOONHQ-UHFFFAOYSA-N
Compound name
4-bromo-1,1-difluoro-3,3-dimethylbutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.00122 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00850 142.8
[M+Na]+ 222.99044 143.1
[M+NH4]+ 218.03504 146.4
[M+K]+ 238.96438 143.5
[M-H]- 198.99394 138.8
[M+Na-2H]- 220.97589 142.7
[M]+ 200.00067 140.4
[M]- 200.00177 140.4
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.