CID 61287782

4-(2-bromoethoxy)oxane

Structural Information

Molecular Formula
C7H13BrO2
SMILES
C1COCCC1OCCBr
InChI
InChI=1S/C7H13BrO2/c8-3-6-10-7-1-4-9-5-2-7/h7H,1-6H2
InChIKey
ANEDXWKNBNWIPD-UHFFFAOYSA-N
Compound name
4-(2-bromoethoxy)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

208.00989 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.01717 139.2
[M+Na]+ 230.99911 147.6
[M-H]- 207.00261 145.0
[M+NH4]+ 226.04371 160.1
[M+K]+ 246.97305 139.6
[M+H-H2O]+ 191.00715 139.5
[M+HCOO]- 253.00809 157.2
[M+CH3COO]- 267.02374 181.1
[M+Na-2H]- 228.98456 147.2
[M]+ 208.00934 156.2
[M]- 208.01044 156.2
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