CID 3065929

(2-endo,3-exo)-2-bromo-7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid

Structural Information

Molecular Formula
C8H9BrO5
SMILES
C1CC2C(C(C1O2)C(=O)O)(C(=O)O)Br
InChI
InChI=1S/C8H9BrO5/c9-8(7(12)13)4-2-1-3(14-4)5(8)6(10)11/h3-5H,1-2H2,(H,10,11)(H,12,13)
InChIKey
HVZAZOJVFINJLF-UHFFFAOYSA-N
Compound name
2-bromo-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.96335 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.970626 152.6
[M+Na]+ 286.952568 163.4
[M-H]- 262.956074 156.4
[M+NH4]+ 281.997173 176.7
[M+K]+ 302.926508 154.5
[M+H-H2O]+ 246.960610 155.8
[M+HCOO]- 308.961551 167.2
[M+CH3COO]- 322.977201 186.1
[M+Na-2H]- 284.938016 156.5
[M]+ 263.96280142 170.9
[M]- 263.96389858 170.9
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.