CID 64174577

3-(trifluoromethyl)oxan-3-ol

Structural Information

Molecular Formula
C6H9F3O2
SMILES
C1CC(COC1)(C(F)(F)F)O
InChI
InChI=1S/C6H9F3O2/c7-6(8,9)5(10)2-1-3-11-4-5/h10H,1-4H2
InChIKey
SOPGZIYGNDDLON-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)oxan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

170.05547 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06275 130.5
[M+Na]+ 193.04469 137.2
[M-H]- 169.04819 129.2
[M+NH4]+ 188.08929 150.6
[M+K]+ 209.01863 137.2
[M+H-H2O]+ 153.05273 124.1
[M+HCOO]- 215.05367 145.0
[M+CH3COO]- 229.06932 172.2
[M+Na-2H]- 191.03014 137.9
[M]+ 170.05492 122.7
[M]- 170.05602 122.7
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

patents stripe