CID 522752

81478-17-3

Structural Information

Molecular Formula
C6H9BrO2
SMILES
C1COC(=O)C1CCBr
InChI
InChI=1S/C6H9BrO2/c7-3-1-5-2-4-9-6(5)8/h5H,1-4H2
InChIKey
IGLXGNWTGHUHHI-UHFFFAOYSA-N
Compound name
3-(2-bromoethyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

191.97859 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.985866 135.1
[M+Na]+ 214.967808 146.2
[M-H]- 190.971314 141.7
[M+NH4]+ 210.012413 158.6
[M+K]+ 230.941748 137.7
[M+H-H2O]+ 174.975850 136.1
[M+HCOO]- 236.976791 155.7
[M+CH3COO]- 250.992441 178.2
[M+Na-2H]- 212.953256 141.8
[M]+ 191.97804142 153.3
[M]- 191.97913858 153.3
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

patents stripe