CID 2782579

1,1,2,2,3,3,4,4-octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane

Structural Information

Molecular Formula
C7H4F12O
SMILES
C(C(C(C(C(F)F)(F)F)(F)F)(F)F)OC(C(F)F)(F)F
InChI
InChI=1S/C7H4F12O/c8-2(9)5(14,15)7(18,19)4(12,13)1-20-6(16,17)3(10)11/h2-3H,1H2
InChIKey
ZNBGTBKGFZMWKR-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4-octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

704
Patents

332.00705 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.01433 158.0
[M+Na]+ 354.99627 166.5
[M-H]- 330.99977 144.3
[M+NH4]+ 350.04087 170.7
[M+K]+ 370.97021 164.2
[M+H-H2O]+ 315.00431 144.7
[M+HCOO]- 377.00525 160.8
[M+CH3COO]- 391.02090 210.7
[M+Na-2H]- 352.98172 158.3
[M]+ 332.00650 140.8
[M]- 332.00760 140.8
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