CID 14008833

4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)-1,3-dioxolan-2-one

Structural Information

Molecular Formula
C10H5F13O3
SMILES
C1C(OC(=O)O1)CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H5F13O3/c11-5(12,1-3-2-25-4(24)26-3)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h3H,1-2H2
InChIKey
PXAIBOJBLYQOTQ-UHFFFAOYSA-N
Compound name
4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)-1,3-dioxolan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

420.0031 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.01038 175.7
[M+Na]+ 442.99232 184.5
[M-H]- 418.99582 165.7
[M+NH4]+ 438.03692 184.2
[M+K]+ 458.96626 183.6
[M+H-H2O]+ 403.00036 163.1
[M+HCOO]- 465.00130 174.1
[M+CH3COO]- 479.01695 221.5
[M+Na-2H]- 440.97777 180.2
[M]+ 420.00255 157.6
[M]- 420.00365 157.6
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