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]+ 199.057656 136.4
[M+Na]+ 221.039598 143.6
[M-H]- 197.043104 135.2
[M+NH4]+ 216.084203 155.3
[M+K]+ 237.013538 143.3
[M+H-H2O]+ 181.047640 129.8
[M+HCOO]- 243.048581 152.1
[M+CH3COO]- 257.064231 178.6
[M+Na-2H]- 219.025046 139.3
[M]+ 198.04983142 131.3
[M]- 198.05092858 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.