CID 165708887

4-bromo-2-oxabicyclo[2.1.1]hexane-1-carboxylic acid

Structural Information

Molecular Formula
C6H7BrO3
SMILES
C1C2(CC1(OC2)C(=O)O)Br
InChI
InChI=1S/C6H7BrO3/c7-5-1-6(2-5,4(8)9)10-3-5/h1-3H2,(H,8,9)
InChIKey
QLTWRCJYAFBUIW-UHFFFAOYSA-N
Compound name
4-bromo-2-oxabicyclo[2.1.1]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.95786 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.96514 136.8
[M+Na]+ 228.94708 147.3
[M-H]- 204.95058 140.7
[M+NH4]+ 223.99168 161.4
[M+K]+ 244.92102 141.7
[M+H-H2O]+ 188.95512 138.0
[M+HCOO]- 250.95606 151.7
[M+CH3COO]- 264.97171 182.9
[M+Na-2H]- 226.93253 147.7
[M]+ 205.95731 166.9
[M]- 205.95841 166.9
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.