CID 176472526

2-(trichloromethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol

Structural Information

Molecular Formula
C6H7Cl3O4
SMILES
C1C(C2C(O1)OC(O2)C(Cl)(Cl)Cl)O
InChI
InChI=1S/C6H7Cl3O4/c7-6(8,9)5-12-3-2(10)1-11-4(3)13-5/h2-5,10H,1H2
InChIKey
JCCSGIKQDFEOTP-UHFFFAOYSA-N
Compound name
2-(trichloromethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.941 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.948276 150.8
[M+Na]+ 270.930218 159.8
[M-H]- 246.933724 154.1
[M+NH4]+ 265.974823 169.1
[M+K]+ 286.904158 158.5
[M+H-H2O]+ 230.938260 149.9
[M+HCOO]- 292.939201 152.7
[M+CH3COO]- 306.954851 183.9
[M+Na-2H]- 268.915666 154.9
[M]+ 247.94045142 153.7
[M]- 247.94154858 153.7
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.