CID 121208371

3,3-bis(bromomethyl)cyclobutan-1-one

Structural Information

Molecular Formula
C6H8Br2O
SMILES
C1C(=O)CC1(CBr)CBr
InChI
InChI=1S/C6H8Br2O/c7-3-6(4-8)1-5(9)2-6/h1-4H2
InChIKey
ACFADMAOGGGVKL-UHFFFAOYSA-N
Compound name
3,3-bis(bromomethyl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.8942 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.90148 118.9
[M+Na]+ 276.88342 129.4
[M-H]- 252.88692 126.0
[M+NH4]+ 271.92802 136.3
[M+K]+ 292.85736 117.2
[M+H-H2O]+ 236.89146 125.1
[M+HCOO]- 298.89240 134.6
[M+CH3COO]- 312.90805 199.3
[M+Na-2H]- 274.86887 128.2
[M]+ 253.89365 158.5
[M]- 253.89475 158.5
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

No patent data available for this compound.