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 138.5
[M+Na]+ 222.99044 149.6
[M-H]- 198.99394 139.3
[M+NH4]+ 218.03504 161.4
[M+K]+ 238.96438 139.4
[M+H-H2O]+ 182.99848 138.2
[M+HCOO]- 244.99942 155.4
[M+CH3COO]- 259.01507 184.5
[M+Na-2H]- 220.97589 144.5
[M]+ 200.00067 154.6
[M]- 200.00177 154.6
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.