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

4
Patents

170.05547 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.062746 133.2
[M+Na]+ 193.044688 140.2
[M-H]- 169.048194 130.8
[M+NH4]+ 188.089293 147.9
[M+K]+ 209.018628 141.1
[M+H-H2O]+ 153.052730 123.2
[M+HCOO]- 215.053671 148.0
[M+CH3COO]- 229.069321 176.1
[M+Na-2H]- 191.030136 138.1
[M]+ 170.05492142 135.8
[M]- 170.05601858 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

patents stripe