CID 11139725

2-(2,2,3,3,4,4,4-heptafluorobutyl)-1,3-dioxolane

Structural Information

Molecular Formula
C7H7F7O2
SMILES
C1COC(O1)CC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H7F7O2/c8-5(9,3-4-15-1-2-16-4)6(10,11)7(12,13)14/h4H,1-3H2
InChIKey
RBXFGBRZNHWPDH-UHFFFAOYSA-N
Compound name
2-(2,2,3,3,4,4,4-heptafluorobutyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

256.03342 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.040696 144.1
[M+Na]+ 279.022638 151.8
[M-H]- 255.026144 139.8
[M+NH4]+ 274.067243 159.7
[M+K]+ 294.996578 152.3
[M+H-H2O]+ 239.030680 134.8
[M+HCOO]- 301.031621 153.6
[M+CH3COO]- 315.047271 191.1
[M+Na-2H]- 277.008086 149.8
[M]+ 256.03287142 134.5
[M]- 256.03396858 134.5
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