CID 119096226

10555-43-8

Structural Information

Molecular Formula
C5H8Br2
SMILES
C1C(CC1Br)CBr
InChI
InChI=1S/C5H8Br2/c6-3-4-1-5(7)2-4/h4-5H,1-3H2
InChIKey
AUBRPPSAKCHCJU-UHFFFAOYSA-N
Compound name
1-bromo-3-(bromomethyl)cyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.89928 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.90656 115.3
[M+Na]+ 248.88850 125.5
[M-H]- 224.89200 122.2
[M+NH4]+ 243.93310 132.2
[M+K]+ 264.86244 113.5
[M+H-H2O]+ 208.89654 120.6
[M+HCOO]- 270.89748 130.9
[M+CH3COO]- 284.91313 196.7
[M+Na-2H]- 246.87395 124.1
[M]+ 225.89873 153.5
[M]- 225.89983 153.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe