CID 121208369

1936111-60-2

Structural Information

Molecular Formula
C7H12Br2O
SMILES
C1COCCC1(CBr)CBr
InChI
InChI=1S/C7H12Br2O/c8-5-7(6-9)1-3-10-4-2-7/h1-6H2
InChIKey
HJGMNLGPBCXWGK-UHFFFAOYSA-N
Compound name
4,4-bis(bromomethyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.92548 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.93276 139.1
[M+Na]+ 292.91470 148.0
[M-H]- 268.91820 145.8
[M+NH4]+ 287.95930 159.5
[M+K]+ 308.88864 134.7
[M+H-H2O]+ 252.92274 148.4
[M+HCOO]- 314.92368 152.4
[M+CH3COO]- 328.93933 197.4
[M+Na-2H]- 290.90015 147.6
[M]+ 269.92493 171.3
[M]- 269.92603 171.3
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.