CID 58204

101198-16-7

Structural Information

Molecular Formula
C9H6F12O2
SMILES
CC1CC(OC(O1)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C9H6F12O2/c1-3-2-4(6(10,11)12,7(13,14)15)23-5(22-3,8(16,17)18)9(19,20)21/h3H,2H2,1H3
InChIKey
QAXROTNSAGEBJY-UHFFFAOYSA-N
Compound name
6-methyl-2,2,4,4-tetrakis(trifluoromethyl)-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.0176 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.02488 168.5
[M+Na]+ 397.00682 179.2
[M-H]- 373.01032 159.6
[M+NH4]+ 392.05142 181.6
[M+K]+ 412.98076 178.7
[M+H-H2O]+ 357.01486 156.9
[M+HCOO]- 419.01580 168.7
[M+CH3COO]- 433.03145 212.5
[M+Na-2H]- 394.99227 173.7
[M]+ 374.01705 151.1
[M]- 374.01815 151.1
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

No patent data available for this compound.