CID 112758214

1469980-27-5

Structural Information

Molecular Formula
C7H3F9O3
SMILES
C1C(OC(=O)O1)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H3F9O3/c8-4(9,2-1-18-3(17)19-2)5(10,11)6(12,13)7(14,15)16/h2H,1H2
InChIKey
PHNKFQLUMVJFOV-UHFFFAOYSA-N
Compound name
4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3-dioxolan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

37
Patents

305.99384 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.00112 150.2
[M+Na]+ 328.98306 159.5
[M-H]- 304.98656 144.2
[M+NH4]+ 324.02766 163.7
[M+K]+ 344.95700 159.5
[M+H-H2O]+ 288.99110 140.1
[M+HCOO]- 350.99204 156.5
[M+CH3COO]- 365.00769 200.0
[M+Na-2H]- 326.96851 155.8
[M]+ 305.99329 138.2
[M]- 305.99439 138.2
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