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]+ 257.04070 144.1
[M+Na]+ 279.02264 151.8
[M-H]- 255.02614 139.8
[M+NH4]+ 274.06724 159.7
[M+K]+ 294.99658 152.3
[M+H-H2O]+ 239.03068 134.8
[M+HCOO]- 301.03162 153.6
[M+CH3COO]- 315.04727 191.1
[M+Na-2H]- 277.00809 149.8
[M]+ 256.03287 134.5
[M]- 256.03397 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