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]+ 199.057656 142.2
[M+Na]+ 221.039598 147.3
[M-H]- 197.043104 139.3
[M+NH4]+ 216.084203 155.1
[M+K]+ 237.013538 149.0
[M+H-H2O]+ 181.047640 131.5
[M+HCOO]- 243.048581 155.0
[M+CH3COO]- 257.064231 180.7
[M+Na-2H]- 219.025046 144.6
[M]+ 198.04983142 144.1
[M]- 198.05092858 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.