CID 222585

1-bromo-4,4-dimethylpentan-2-one

Structural Information

Molecular Formula
C7H13BrO
SMILES
CC(C)(C)CC(=O)CBr
InChI
InChI=1S/C7H13BrO/c1-7(2,3)4-6(9)5-8/h4-5H2,1-3H3
InChIKey
BHNFDOWGCDXOOK-UHFFFAOYSA-N
Compound name
1-bromo-4,4-dimethylpentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

192.01498 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.02226 135.4
[M+Na]+ 215.00420 136.6
[M+NH4]+ 210.04880 139.7
[M+K]+ 230.97814 137.7
[M-H]- 191.00770 133.3
[M+Na-2H]- 212.98965 136.3
[M]+ 192.01443 133.7
[M]- 192.01553 133.7
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