CID 165944362

2703774-66-5

Structural Information

Molecular Formula
C6H9F3O2
SMILES
C1C(CC1(C(F)(F)F)O)CO
InChI
InChI=1S/C6H9F3O2/c7-6(8,9)5(11)1-4(2-5)3-10/h4,10-11H,1-3H2
InChIKey
SRUVNGITUDCABD-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)-1-(trifluoromethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.05547 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06275 133.2
[M+Na]+ 193.04469 140.2
[M-H]- 169.04819 130.8
[M+NH4]+ 188.08929 147.9
[M+K]+ 209.01863 141.1
[M+H-H2O]+ 153.05273 123.2
[M+HCOO]- 215.05367 148.0
[M+CH3COO]- 229.06932 176.1
[M+Na-2H]- 191.03014 138.1
[M]+ 170.05492 135.8
[M]- 170.05602 135.8
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.