CID 61645213

1226507-56-7

Structural Information

Molecular Formula
C6H9F3O2
SMILES
C1COCC1C(C(F)(F)F)O
InChI
InChI=1S/C6H9F3O2/c7-6(8,9)5(10)4-1-2-11-3-4/h4-5,10H,1-3H2
InChIKey
WPMRYUXKQGRDQO-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(oxolan-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

170.05547 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.062746 130.8
[M+Na]+ 193.044688 137.2
[M-H]- 169.048194 129.3
[M+NH4]+ 188.089293 150.6
[M+K]+ 209.018628 137.3
[M+H-H2O]+ 153.052730 124.0
[M+HCOO]- 215.053671 146.4
[M+CH3COO]- 229.069321 173.2
[M+Na-2H]- 191.030136 134.7
[M]+ 170.05492142 124.1
[M]- 170.05601858 124.1
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