CID 8256

Tribromoacetaldehyde

Structural Information

Molecular Formula
C2HBr3O
SMILES
C(=O)C(Br)(Br)Br
InChI
InChI=1S/C2HBr3O/c3-2(4,5)1-6/h1H
InChIKey
YTGSYRVSBPFKMQ-UHFFFAOYSA-N
Compound name
2,2,2-tribromoacetaldehyde
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9
References

1941
Patents

277.75775 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.76503 128.7
[M+Na]+ 300.74697 137.9
[M-H]- 276.75047 132.9
[M+NH4]+ 295.79157 145.5
[M+K]+ 316.72091 122.5
[M+H-H2O]+ 260.75501 144.0
[M+HCOO]- 322.75595 139.0
[M+CH3COO]- 336.77160 211.0
[M+Na-2H]- 298.73242 136.2
[M]+ 277.75720 169.0
[M]- 277.75830 169.0
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