CID 132371409

(1,3-dibromopropan-2-yl)cyclobutane

Structural Information

Molecular Formula
C7H12Br2
SMILES
C1CC(C1)C(CBr)CBr
InChI
InChI=1S/C7H12Br2/c8-4-7(5-9)6-2-1-3-6/h6-7H,1-5H2
InChIKey
WXPGJVSEWLAHMJ-UHFFFAOYSA-N
Compound name
1,3-dibromopropan-2-ylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.93057 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.937846 126.6
[M+Na]+ 276.919788 135.1
[M-H]- 252.923294 132.9
[M+NH4]+ 271.964393 142.2
[M+K]+ 292.893728 123.0
[M+H-H2O]+ 236.927830 131.2
[M+HCOO]- 298.928771 140.8
[M+CH3COO]- 312.944421 200.9
[M+Na-2H]- 274.905236 133.6
[M]+ 253.93002142 164.5
[M]- 253.93111858 164.5
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.