CID 6407

Chloral

Structural Information

Molecular Formula
C2HCl3O
SMILES
C(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H
InChIKey
HFFLGKNGCAIQMO-UHFFFAOYSA-N
Compound name
2,2,2-trichloroacetaldehyde
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

216
References

44972
Patents

145.9093 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.91658 120.4
[M+Na]+ 168.89852 130.9
[M-H]- 144.90202 119.9
[M+NH4]+ 163.94312 142.9
[M+K]+ 184.87246 126.9
[M+H-H2O]+ 128.90656 119.6
[M+HCOO]- 190.90750 129.2
[M+CH3COO]- 204.92315 171.0
[M+Na-2H]- 166.88397 127.8
[M]+ 145.90875 122.5
[M]- 145.90985 122.5
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.