CID 121208370

1,1-bis(bromomethyl)-3,3-dimethoxycyclobutane

Structural Information

Molecular Formula
C8H14Br2O2
SMILES
COC1(CC(C1)(CBr)CBr)OC
InChI
InChI=1S/C8H14Br2O2/c1-11-8(12-2)3-7(4-8,5-9)6-10/h3-6H2,1-2H3
InChIKey
DZRGZETXDZOGDM-UHFFFAOYSA-N
Compound name
1,1-bis(bromomethyl)-3,3-dimethoxycyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.93604 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.94332 128.9
[M+Na]+ 322.92526 138.9
[M-H]- 298.92876 136.0
[M+NH4]+ 317.96986 146.4
[M+K]+ 338.89920 127.2
[M+H-H2O]+ 282.93330 135.8
[M+HCOO]- 344.93424 144.1
[M+CH3COO]- 358.94989 205.6
[M+Na-2H]- 320.91071 138.2
[M]+ 299.93549 171.1
[M]- 299.93659 171.1
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.