CID 50990534

1163729-49-4

Structural Information

Molecular Formula
C6H7F3O3
SMILES
C1C(CC1(C(F)(F)F)O)C(=O)O
InChI
InChI=1S/C6H7F3O3/c7-6(8,9)5(12)1-3(2-5)4(10)11/h3,12H,1-2H2,(H,10,11)
InChIKey
PNVQKVUOLHLJTL-UHFFFAOYSA-N
Compound name
3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

184.03473 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.04201 135.7
[M+Na]+ 207.02395 142.4
[M-H]- 183.02745 133.3
[M+NH4]+ 202.06855 149.6
[M+K]+ 222.99789 143.9
[M+H-H2O]+ 167.03199 125.5
[M+HCOO]- 229.03293 149.9
[M+CH3COO]- 243.04858 178.1
[M+Na-2H]- 205.00940 139.4
[M]+ 184.03418 138.4
[M]- 184.03528 138.4
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

patents stripe