CID 12791586

77564-82-0

Structural Information

Molecular Formula
C7H13BrO
SMILES
C1CCOC(C1)CCBr
InChI
InChI=1S/C7H13BrO/c8-5-4-7-3-1-2-6-9-7/h7H,1-6H2
InChIKey
PCXOVDMMOFKADA-UHFFFAOYSA-N
Compound name
2-(2-bromoethyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

192.01498 Da
Monoisotopic Mass

2.1
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

literature stripe

Patent stripe

patents stripe