CID 217662

39150-42-0

Structural Information

Molecular Formula
C7H13BrO2
SMILES
CCOC1C(CCCO1)Br
InChI
InChI=1S/C7H13BrO2/c1-2-9-7-6(8)4-3-5-10-7/h6-7H,2-5H2,1H3
InChIKey
MKDZXJPQACWMSP-UHFFFAOYSA-N
Compound name
3-bromo-2-ethoxyoxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.00989 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.01717 138.7
[M+Na]+ 230.99911 148.0
[M-H]- 207.00261 144.9
[M+NH4]+ 226.04371 159.9
[M+K]+ 246.97305 139.9
[M+H-H2O]+ 191.00715 139.1
[M+HCOO]- 253.00809 156.7
[M+CH3COO]- 267.02374 182.1
[M+Na-2H]- 228.98456 146.1
[M]+ 208.00934 156.0
[M]- 208.01044 156.0
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

No patent data available for this compound.