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

11
Patents

255.90984 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.917116 138.1
[M+Na]+ 278.899058 148.7
[M-H]- 254.902564 142.3
[M+NH4]+ 273.943663 158.6
[M+K]+ 294.872998 133.5
[M+H-H2O]+ 238.907100 146.5
[M+HCOO]- 300.908041 152.3
[M+CH3COO]- 314.923691 198.6
[M+Na-2H]- 276.884506 145.0
[M]+ 255.90929142 172.2
[M]- 255.91038858 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