CID 155858404

2580093-71-4

Structural Information

Molecular Formula
C7H9F3O3
SMILES
C1[C@@H](CO[C@@H]1C(F)(F)F)CC(=O)O
InChI
InChI=1S/C7H9F3O3/c8-7(9,10)5-1-4(3-13-5)2-6(11)12/h4-5H,1-3H2,(H,11,12)/t4-,5+/m1/s1
InChIKey
WYPTXJHMJDQCEW-UHNVWZDZSA-N
Compound name
2-[(3R,5S)-5-(trifluoromethyl)oxolan-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.05038 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05766 136.4
[M+Na]+ 221.03960 143.6
[M-H]- 197.04310 135.2
[M+NH4]+ 216.08420 155.3
[M+K]+ 237.01354 143.3
[M+H-H2O]+ 181.04764 129.8
[M+HCOO]- 243.04858 152.1
[M+CH3COO]- 257.06423 178.6
[M+Na-2H]- 219.02505 139.3
[M]+ 198.04983 131.3
[M]- 198.05093 131.3
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

No patent data available for this compound.