CID 146155789

[1-(hydroxymethyl)-2-(trifluoromethyl)cyclopropyl]methanol

Structural Information

Molecular Formula
C6H9F3O2
SMILES
C1C(C1(CO)CO)C(F)(F)F
InChI
InChI=1S/C6H9F3O2/c7-6(8,9)4-1-5(4,2-10)3-11/h4,10-11H,1-3H2
InChIKey
QUYIRJYWJBFSBX-UHFFFAOYSA-N
Compound name
[1-(hydroxymethyl)-2-(trifluoromethyl)cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.05547 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06275 141.8
[M+Na]+ 193.04469 148.8
[M+NH4]+ 188.08929 148.1
[M+K]+ 209.01863 145.6
[M-H]- 169.04819 142.9
[M+Na-2H]- 191.03014 146.4
[M]+ 170.05492 143.7
[M]- 170.05602 143.7
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.