CID 12467645

2,2-dibromocyclopropane-1-carbaldehyde

Structural Information

Molecular Formula
C4H4Br2O
SMILES
C1C(C1(Br)Br)C=O
InChI
InChI=1S/C4H4Br2O/c5-4(6)1-3(4)2-7/h2-3H,1H2
InChIKey
UDQZVPAQYKKCTM-UHFFFAOYSA-N
Compound name
2,2-dibromocyclopropane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.86288 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.87016 128.4
[M+Na]+ 248.85210 142.5
[M-H]- 224.85560 136.7
[M+NH4]+ 243.89670 147.9
[M+K]+ 264.82604 127.6
[M+H-H2O]+ 208.86014 137.2
[M+HCOO]- 270.86108 145.5
[M+CH3COO]- 284.87673 195.2
[M+Na-2H]- 246.83755 137.6
[M]+ 225.86233 163.4
[M]- 225.86343 163.4
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.