CID 3042579

3,8-bis(bromomethyl)-2,7-dioxaspiro(4.4)nonane-1,6-dione

Structural Information

Molecular Formula
C9H10Br2O4
SMILES
C1C(OC(=O)C12CC(OC2=O)CBr)CBr
InChI
InChI=1S/C9H10Br2O4/c10-3-5-1-9(7(12)14-5)2-6(4-11)15-8(9)13/h5-6H,1-4H2
InChIKey
FIUZOPYFJAYFQM-UHFFFAOYSA-N
Compound name
3,8-bis(bromomethyl)-2,7-dioxaspiro[4.4]nonane-1,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.8946 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.90188 172.2
[M+Na]+ 362.88382 164.8
[M+NH4]+ 357.92842 173.9
[M+K]+ 378.85776 172.4
[M-H]- 338.88732 173.1
[M+Na-2H]- 360.86927 169.9
[M]+ 339.89405 170.2
[M]- 339.89515 170.2
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

No patent data available for this compound.