CID 132371410

4-(1,3-dibromopropan-2-yl)oxane

Structural Information

Molecular Formula
C8H14Br2O
SMILES
C1COCCC1C(CBr)CBr
InChI
InChI=1S/C8H14Br2O/c9-5-8(6-10)7-1-3-11-4-2-7/h7-8H,1-6H2
InChIKey
IVXHQYWHVAAHGL-UHFFFAOYSA-N
Compound name
4-(1,3-dibromopropan-2-yl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.94113 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.94841 146.8
[M+Na]+ 306.93035 154.4
[M-H]- 282.93385 152.9
[M+NH4]+ 301.97495 165.0
[M+K]+ 322.90429 140.8
[M+H-H2O]+ 266.93839 154.9
[M+HCOO]- 328.93933 158.8
[M+CH3COO]- 342.95498 200.7
[M+Na-2H]- 304.91580 152.6
[M]+ 283.94058 178.0
[M]- 283.94168 178.0
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.