CID 83771

13846-22-5

Structural Information

Molecular Formula
C7F12O2
SMILES
C(=C(F)F)(OC(C(C(OC(=C(F)F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C7F12O2/c8-1(9)3(12)20-6(16,17)5(14,15)7(18,19)21-4(13)2(10)11
InChIKey
KGJWCQOEERZJMB-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3-hexafluoro-1,3-bis(1,2,2-trifluoroethenoxy)propane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

51
Patents

343.97067 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.97795 156.2
[M+Na]+ 366.95989 164.7
[M-H]- 342.96339 142.3
[M+NH4]+ 362.00449 168.2
[M+K]+ 382.93383 162.1
[M+H-H2O]+ 326.96793 142.7
[M+HCOO]- 388.96887 159.4
[M+CH3COO]- 402.98452 210.2
[M+Na-2H]- 364.94534 153.7
[M]+ 343.97012 138.6
[M]- 343.97122 138.6
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