CID 59042

101833-10-7

Structural Information

Molecular Formula
C7H6Cl2F4O3
SMILES
CC1(CC(OC1=O)(C(F)(F)Cl)C(F)(F)Cl)O
InChI
InChI=1S/C7H6Cl2F4O3/c1-4(15)2-5(6(8,10)11,7(9,12)13)16-3(4)14/h15H,2H2,1H3
InChIKey
LBKMFILGWAYZLO-UHFFFAOYSA-N
Compound name
5,5-bis[chloro(difluoro)methyl]-3-hydroxy-3-methyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.963 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.97028 141.7
[M+Na]+ 306.95222 153.1
[M-H]- 282.95572 140.0
[M+NH4]+ 301.99682 162.6
[M+K]+ 322.92616 149.2
[M+H-H2O]+ 266.96026 138.7
[M+HCOO]- 328.96120 146.6
[M+CH3COO]- 342.97685 190.7
[M+Na-2H]- 304.93767 148.2
[M]+ 283.96245 139.6
[M]- 283.96355 139.6
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.