CID 6443

2,2,3-trichlorobutane-1,1-diol

Structural Information

Molecular Formula
C4H7Cl3O2
SMILES
CC(C(C(O)O)(Cl)Cl)Cl
InChI
InChI=1S/C4H7Cl3O2/c1-2(5)4(6,7)3(8)9/h2-3,8-9H,1H3
InChIKey
QVYLNOUOIXTUGA-UHFFFAOYSA-N
Compound name
2,2,3-trichlorobutane-1,1-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

191.95116 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.95844 135.0
[M+Na]+ 214.94038 145.3
[M+NH4]+ 209.98498 142.3
[M+K]+ 230.91432 141.2
[M-H]- 190.94388 132.2
[M+Na-2H]- 212.92583 137.7
[M]+ 191.95061 136.3
[M]- 191.95171 136.3
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

patents stripe