CID 44224734

920979-28-8

Structural Information

Molecular Formula
C12H5F19O2
SMILES
CCOC1(C(C(C(O1)(C(C(F)(F)F)(C(F)(F)F)F)F)(F)F)(F)F)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C12H5F19O2/c1-2-32-8(4(14,11(26,27)28)12(29,30)31)6(17,18)5(15,16)7(19,33-8)3(13,9(20,21)22)10(23,24)25/h2H2,1H3
InChIKey
HJKBEHRDVJDQLU-UHFFFAOYSA-N
Compound name
2-ethoxy-3,3,4,4,5-pentafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

541.9986 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.00588 197.0
[M+Na]+ 564.98782 210.3
[M-H]- 540.99132 183.3
[M+NH4]+ 560.03242 209.3
[M+K]+ 580.96176 207.9
[M+H-H2O]+ 524.99586 185.6
[M+HCOO]- 586.99680 190.7
[M+CH3COO]- 601.01245 239.9
[M+Na-2H]- 562.97327 201.2
[M]+ 541.99805 172.9
[M]- 541.99915 172.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe