CID 6421

Trichloroacetic acid

Structural Information

Molecular Formula
C2HCl3O2
SMILES
C(=O)(C(Cl)(Cl)Cl)O
InChI
InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKey
YNJBWRMUSHSURL-UHFFFAOYSA-N
Compound name
2,2,2-trichloroacetic acid
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

6135
References

17886
Patents

161.9042 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.91148 125.1
[M+Na]+ 184.89342 136.7
[M+NH4]+ 179.93802 133.0
[M+K]+ 200.86736 131.9
[M-H]- 160.89692 122.9
[M+Na-2H]- 182.87887 129.2
[M]+ 161.90365 126.8
[M]- 161.90475 126.8
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