CID 90449207

(5,5-difluorooxan-2-yl)methanol

Structural Information

Molecular Formula
C6H10F2O2
SMILES
C1CC(COC1CO)(F)F
InChI
InChI=1S/C6H10F2O2/c7-6(8)2-1-5(3-9)10-4-6/h5,9H,1-4H2
InChIKey
GTVDPLDACTYTLM-UHFFFAOYSA-N
Compound name
(5,5-difluorooxan-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

152.06488 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.072156 127.2
[M+Na]+ 175.054098 134.3
[M-H]- 151.057604 127.4
[M+NH4]+ 170.098703 148.3
[M+K]+ 191.028038 134.3
[M+H-H2O]+ 135.062140 121.4
[M+HCOO]- 197.063081 144.3
[M+CH3COO]- 211.078731 170.8
[M+Na-2H]- 173.039546 133.9
[M]+ 152.06433142 121.7
[M]- 152.06542858 121.7
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