CID 137948994

[5-(trifluoromethyl)oxolan-2-yl]methanol

Structural Information

Molecular Formula
C6H9F3O2
SMILES
C1CC(OC1CO)C(F)(F)F
InChI
InChI=1S/C6H9F3O2/c7-6(8,9)5-2-1-4(3-10)11-5/h4-5,10H,1-3H2
InChIKey
XGKCJPMKXBGMAM-UHFFFAOYSA-N
Compound name
[5-(trifluoromethyl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.05547 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06275 130.0
[M+Na]+ 193.04469 137.6
[M-H]- 169.04819 128.9
[M+NH4]+ 188.08929 150.3
[M+K]+ 209.01863 137.2
[M+H-H2O]+ 153.05273 123.5
[M+HCOO]- 215.05367 146.6
[M+CH3COO]- 229.06932 173.5
[M+Na-2H]- 191.03014 134.5
[M]+ 170.05492 124.4
[M]- 170.05602 124.4
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.