CID 59047

101833-15-2

Structural Information

Molecular Formula
C7H6ClF5O3
SMILES
CC1(CC(OC1=O)(C(F)(F)F)C(F)(F)Cl)O
InChI
InChI=1S/C7H6ClF5O3/c1-4(15)2-5(6(8,9)10,7(11,12)13)16-3(4)14/h15H,2H2,1H3
InChIKey
HPVZASNIUXQIPA-UHFFFAOYSA-N
Compound name
5-[chloro(difluoro)methyl]-3-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.99255 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.99983 140.0
[M+Na]+ 290.98177 151.4
[M-H]- 266.98527 137.5
[M+NH4]+ 286.02637 161.3
[M+K]+ 306.95571 148.7
[M+H-H2O]+ 250.98981 135.6
[M+HCOO]- 312.99075 148.8
[M+CH3COO]- 327.00640 188.4
[M+Na-2H]- 288.96722 146.6
[M]+ 267.99200 135.6
[M]- 267.99310 135.6
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.