CID 19895484

4-bromo-1,1,1-trifluoro-2-methylbutane

Structural Information

Molecular Formula
C5H8BrF3
SMILES
CC(CCBr)C(F)(F)F
InChI
InChI=1S/C5H8BrF3/c1-4(2-3-6)5(7,8)9/h4H,2-3H2,1H3
InChIKey
UBOUWYQHZBPKBQ-UHFFFAOYSA-N
Compound name
4-bromo-1,1,1-trifluoro-2-methylbutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

203.97615 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.983426 137.8
[M+Na]+ 226.965368 149.2
[M-H]- 202.968874 137.4
[M+NH4]+ 222.009973 160.4
[M+K]+ 242.939308 138.9
[M+H-H2O]+ 186.973410 136.7
[M+HCOO]- 248.974351 153.9
[M+CH3COO]- 262.990001 183.7
[M+Na-2H]- 224.950816 143.6
[M]+ 203.97560142 152.1
[M]- 203.97669858 152.1
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