CID 129989827

2,2,3,3-tetrafluoro-1-(hydroxymethyl)cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C6H6F4O3
SMILES
C1C(C(C1(F)F)(F)F)(CO)C(=O)O
InChI
InChI=1S/C6H6F4O3/c7-5(8)1-4(2-11,3(12)13)6(5,9)10/h11H,1-2H2,(H,12,13)
InChIKey
DUIUILJEGFZFSL-UHFFFAOYSA-N
Compound name
2,2,3,3-tetrafluoro-1-(hydroxymethyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.0253 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.03258 138.1
[M+Na]+ 225.01452 147.2
[M-H]- 201.01802 135.5
[M+NH4]+ 220.05912 155.3
[M+K]+ 240.98846 147.9
[M+H-H2O]+ 185.02256 129.8
[M+HCOO]- 247.02350 152.7
[M+CH3COO]- 261.03915 182.2
[M+Na-2H]- 222.99997 142.4
[M]+ 202.02475 141.5
[M]- 202.02585 141.5
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.