CID 84765035

[4-(difluoromethyl)oxan-4-yl]methanol

Structural Information

Molecular Formula
C7H12F2O2
SMILES
C1COCCC1(CO)C(F)F
InChI
InChI=1S/C7H12F2O2/c8-6(9)7(5-10)1-3-11-4-2-7/h6,10H,1-5H2
InChIKey
LJIYDJWFBHJFSU-UHFFFAOYSA-N
Compound name
[4-(difluoromethyl)oxan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

166.08054 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08782 133.1
[M+Na]+ 189.06976 138.5
[M-H]- 165.07326 132.7
[M+NH4]+ 184.11436 153.2
[M+K]+ 205.04370 138.8
[M+H-H2O]+ 149.07780 126.9
[M+HCOO]- 211.07874 148.8
[M+CH3COO]- 225.09439 173.6
[M+Na-2H]- 187.05521 138.5
[M]+ 166.07999 126.9
[M]- 166.08109 126.9
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.