CID 22637012

4677-20-7

Structural Information

Molecular Formula
C7H13BrO
SMILES
C1COCCC1CCBr
InChI
InChI=1S/C7H13BrO/c8-4-1-7-2-5-9-6-3-7/h7H,1-6H2
InChIKey
WPDAWFCZGSQOPZ-UHFFFAOYSA-N
Compound name
4-(2-bromoethyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

346
Patents

192.01498 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.022256 136.6
[M+Na]+ 215.004198 145.1
[M-H]- 191.007704 142.5
[M+NH4]+ 210.048803 158.2
[M+K]+ 230.978138 136.7
[M+H-H2O]+ 175.012240 137.2
[M+HCOO]- 237.013181 154.4
[M+CH3COO]- 251.028831 179.2
[M+Na-2H]- 212.989646 144.6
[M]+ 192.01443142 152.2
[M]- 192.01552858 152.2
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