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 157.5
[M+Na]+ 362.88382 168.7
[M-H]- 338.88732 166.9
[M+NH4]+ 357.92842 177.9
[M+K]+ 378.85776 156.3
[M+H-H2O]+ 322.89186 167.5
[M+HCOO]- 384.89280 171.3
[M+CH3COO]- 398.90845 205.6
[M+Na-2H]- 360.86927 161.9
[M]+ 339.89405 191.9
[M]- 339.89515 191.9
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.