CID 8259

2,2,2-trichloroethanol

Structural Information

Molecular Formula
C2H3Cl3O
SMILES
C(C(Cl)(Cl)Cl)O
InChI
InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2
InChIKey
KPWDGTGXUYRARH-UHFFFAOYSA-N
Compound name
2,2,2-trichloroethanol
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1473
References

67839
Patents

147.92494 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.93222 121.7
[M+Na]+ 170.91416 131.5
[M-H]- 146.91766 119.7
[M+NH4]+ 165.95876 143.5
[M+K]+ 186.88810 127.2
[M+H-H2O]+ 130.92220 121.1
[M+HCOO]- 192.92314 128.9
[M+CH3COO]- 206.93879 169.3
[M+Na-2H]- 168.89961 128.6
[M]+ 147.92439 122.6
[M]- 147.92549 122.6
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.