CID 63739730

2,2,2-trifluoro-1-(oxan-3-yl)ethan-1-ol

Structural Information

Molecular Formula
C7H11F3O2
SMILES
C1CC(COC1)C(C(F)(F)F)O
InChI
InChI=1S/C7H11F3O2/c8-7(9,10)6(11)5-2-1-3-12-4-5/h5-6,11H,1-4H2
InChIKey
SHAJQTRIUSHNPO-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(oxan-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.07112 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07840 135.6
[M+Na]+ 207.06034 140.7
[M-H]- 183.06384 133.8
[M+NH4]+ 202.10494 153.0
[M+K]+ 223.03428 140.6
[M+H-H2O]+ 167.06838 128.1
[M+HCOO]- 229.06932 148.7
[M+CH3COO]- 243.08497 176.5
[M+Na-2H]- 205.04579 140.0
[M]+ 184.07057 127.2
[M]- 184.07167 127.2
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.