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

11
Patents

191.97859 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.98587 135.1
[M+Na]+ 214.96781 146.2
[M-H]- 190.97131 141.7
[M+NH4]+ 210.01241 158.6
[M+K]+ 230.94175 137.7
[M+H-H2O]+ 174.97585 136.1
[M+HCOO]- 236.97679 155.7
[M+CH3COO]- 250.99244 178.2
[M+Na-2H]- 212.95326 141.8
[M]+ 191.97804 153.3
[M]- 191.97914 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