CID 4147608

2-bromo-2,4,4-trimethylpentan-3-one

Structural Information

Molecular Formula
C8H15BrO
SMILES
CC(C)(C)C(=O)C(C)(C)Br
InChI
InChI=1S/C8H15BrO/c1-7(2,3)6(10)8(4,5)9/h1-5H3
InChIKey
CLUHREPHOLNVFF-UHFFFAOYSA-N
Compound name
2-bromo-2,4,4-trimethylpentan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

206.03062 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.03790 139.4
[M+Na]+ 229.01984 140.2
[M+NH4]+ 224.06444 143.4
[M+K]+ 244.99378 142.2
[M-H]- 205.02334 136.7
[M+Na-2H]- 227.00529 140.1
[M]+ 206.03007 137.5
[M]- 206.03117 137.5
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