CID 155822505

2352726-71-5

Structural Information

Molecular Formula
C7H9F3O3
SMILES
C1CC(C1)(C(C(F)(F)F)O)C(=O)O
InChI
InChI=1S/C7H9F3O3/c8-7(9,10)4(11)6(5(12)13)2-1-3-6/h4,11H,1-3H2,(H,12,13)
InChIKey
FCKDEHJDKSAYJP-UHFFFAOYSA-N
Compound name
1-(2,2,2-trifluoro-1-hydroxyethyl)cyclobutane-1-carboxylic 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 142.2
[M+Na]+ 221.03960 147.3
[M-H]- 197.04310 139.3
[M+NH4]+ 216.08420 155.1
[M+K]+ 237.01354 149.0
[M+H-H2O]+ 181.04764 131.5
[M+HCOO]- 243.04858 155.0
[M+CH3COO]- 257.06423 180.7
[M+Na-2H]- 219.02505 144.6
[M]+ 198.04983 144.1
[M]- 198.05093 144.1
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.