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

8
Patents

420.0031 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.010376 175.7
[M+Na]+ 442.992318 184.5
[M-H]- 418.995824 165.7
[M+NH4]+ 438.036923 184.2
[M+K]+ 458.966258 183.6
[M+H-H2O]+ 403.000360 163.1
[M+HCOO]- 465.001301 174.1
[M+CH3COO]- 479.016951 221.5
[M+Na-2H]- 440.977766 180.2
[M]+ 420.00255142 157.6
[M]- 420.00364858 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