CID 20135953

1,4-dibromo-3,3-dimethylbutan-2-one

Structural Information

Molecular Formula
C6H10Br2O
SMILES
CC(C)(CBr)C(=O)CBr
InChI
InChI=1S/C6H10Br2O/c1-6(2,4-8)5(9)3-7/h3-4H2,1-2H3
InChIKey
NASYOTPRTVKEPL-UHFFFAOYSA-N
Compound name
1,4-dibromo-3,3-dimethylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

255.90984 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.91712 138.1
[M+Na]+ 278.89906 148.7
[M-H]- 254.90256 142.3
[M+NH4]+ 273.94366 158.6
[M+K]+ 294.87300 133.5
[M+H-H2O]+ 238.90710 146.5
[M+HCOO]- 300.90804 152.3
[M+CH3COO]- 314.92369 198.6
[M+Na-2H]- 276.88451 145.0
[M]+ 255.90929 172.2
[M]- 255.91039 172.2
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