CID 71656147

1447671-73-9

Structural Information

Molecular Formula
C5H8BrF3
SMILES
CC(C)(CBr)C(F)(F)F
InChI
InChI=1S/C5H8BrF3/c1-4(2,3-6)5(7,8)9/h3H2,1-2H3
InChIKey
OMAWMXSFDUBZGY-UHFFFAOYSA-N
Compound name
3-bromo-1,1,1-trifluoro-2,2-dimethylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

203.97615 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.983426 137.8
[M+Na]+ 226.965368 150.0
[M-H]- 202.968874 137.8
[M+NH4]+ 222.009973 160.7
[M+K]+ 242.939308 139.7
[M+H-H2O]+ 186.973410 137.4
[M+HCOO]- 248.974351 153.5
[M+CH3COO]- 262.990001 183.4
[M+Na-2H]- 224.950816 145.4
[M]+ 203.97560142 152.2
[M]- 203.97669858 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe