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

369
Patents

192.01498 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.02226 134.7
[M+Na]+ 215.00420 137.0
[M+NH4]+ 210.04880 140.5
[M+K]+ 230.97814 136.8
[M-H]- 191.00770 136.7
[M+Na-2H]- 212.98965 137.2
[M]+ 192.01443 134.4
[M]- 192.01553 134.4
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