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

45004
Patents

145.9093 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.916576 120.4
[M+Na]+ 168.898518 130.9
[M-H]- 144.902024 119.9
[M+NH4]+ 163.943123 142.9
[M+K]+ 184.872458 126.9
[M+H-H2O]+ 128.906560 119.6
[M+HCOO]- 190.907501 129.2
[M+CH3COO]- 204.923151 171.0
[M+Na-2H]- 166.883966 127.8
[M]+ 145.90875142 122.5
[M]- 145.90984858 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

literature stripe

Patent stripe

patents stripe