CID 175764

1-(1,2-dibromoethyl)-4-isopropylbicycloorthocarboxylate

Structural Information

Molecular Formula
C10H16Br2O3
SMILES
CC(C)C12COC(OC1)(OC2)C(CBr)Br
InChI
InChI=1S/C10H16Br2O3/c1-7(2)9-4-13-10(14-5-9,15-6-9)8(12)3-11/h7-8H,3-6H2,1-2H3
InChIKey
MLZCFEHMIZVROR-UHFFFAOYSA-N
Compound name
1-(1,2-dibromoethyl)-4-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.94662 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.95390 154.3
[M+Na]+ 364.93584 160.7
[M-H]- 340.93934 156.7
[M+NH4]+ 359.98044 174.6
[M+K]+ 380.90978 151.5
[M+H-H2O]+ 324.94388 163.4
[M+HCOO]- 386.94482 157.6
[M+CH3COO]- 400.96047 165.4
[M+Na-2H]- 362.92129 165.7
[M]+ 341.94607 190.9
[M]- 341.94717 190.9
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.