CID 13434368

3-(heptadecafluorooctyl)-1,2,4-trioxolane

Structural Information

Molecular Formula
C10H3F17O3
SMILES
C1OC(OO1)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H3F17O3/c11-3(12,2-28-1-29-30-2)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h2H,1H2
InChIKey
JZLSJSIYEYSKCH-UHFFFAOYSA-N
Compound name
3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-1,2,4-trioxolane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

493.98108 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.98836 189.6
[M+Na]+ 516.97030 198.1
[M-H]- 492.97380 177.3
[M+NH4]+ 512.01490 193.8
[M+K]+ 532.94424 198.3
[M+H-H2O]+ 476.97834 175.3
[M+HCOO]- 538.97928 181.3
[M+CH3COO]- 552.99493 233.5
[M+Na-2H]- 514.95575 195.7
[M]+ 493.98053 165.4
[M]- 493.98163 165.4
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