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]+ 264.97063 152.6
[M+Na]+ 286.95257 163.4
[M-H]- 262.95607 156.4
[M+NH4]+ 281.99717 176.7
[M+K]+ 302.92651 154.5
[M+H-H2O]+ 246.96061 155.8
[M+HCOO]- 308.96155 167.2
[M+CH3COO]- 322.97720 186.1
[M+Na-2H]- 284.93802 156.5
[M]+ 263.96280 170.9
[M]- 263.96390 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.