CID 132398671

4-bromo-1,1,1-trifluoro-2,2-dimethylbutane

Structural Information

Molecular Formula
C6H10BrF3
SMILES
CC(C)(CCBr)C(F)(F)F
InChI
InChI=1S/C6H10BrF3/c1-5(2,3-4-7)6(8,9)10/h3-4H2,1-2H3
InChIKey
ISTIYHGMNQWBED-UHFFFAOYSA-N
Compound name
4-bromo-1,1,1-trifluoro-2,2-dimethylbutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

217.9918 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.999076 142.6
[M+Na]+ 240.981018 154.4
[M-H]- 216.984524 142.4
[M+NH4]+ 236.025623 164.9
[M+K]+ 256.954958 143.8
[M+H-H2O]+ 200.989060 141.9
[M+HCOO]- 262.990001 157.9
[M+CH3COO]- 277.005651 186.2
[M+Na-2H]- 238.966466 149.6
[M]+ 217.99125142 157.4
[M]- 217.99234858 157.4
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

patents stripe