CID 122360498

1955539-80-6

Structural Information

Molecular Formula
C6H7F3O3
SMILES
C1C[C@@H](O[C@@H]1C(=O)O)C(F)(F)F
InChI
InChI=1S/C6H7F3O3/c7-6(8,9)4-2-1-3(12-4)5(10)11/h3-4H,1-2H2,(H,10,11)/t3-,4+/m0/s1
InChIKey
RYUYEDMDUWHWAK-IUYQGCFVSA-N
Compound name
(2S,5R)-5-(trifluoromethyl)oxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.03473 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.04201 131.6
[M+Na]+ 207.02395 139.2
[M-H]- 183.02745 130.6
[M+NH4]+ 202.06855 151.1
[M+K]+ 222.99789 139.1
[M+H-H2O]+ 167.03199 125.1
[M+HCOO]- 229.03293 147.6
[M+CH3COO]- 243.04858 175.5
[M+Na-2H]- 205.00940 135.1
[M]+ 184.03418 126.1
[M]- 184.03528 126.1
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.