CID 85862191

595-00-6

Structural Information

Molecular Formula
C8H5F11O
SMILES
C=COCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H5F11O/c1-2-20-3-4(9,10)5(11,12)6(13,14)7(15,16)8(17,18)19/h2H,1,3H2
InChIKey
BSHXXSFAHRWMFQ-UHFFFAOYSA-N
Compound name
6-ethenoxy-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

326.01648 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.02376 159.6
[M+Na]+ 349.00570 168.7
[M-H]- 325.00920 147.2
[M+NH4]+ 344.05030 172.8
[M+K]+ 364.97964 165.7
[M+H-H2O]+ 309.01374 147.4
[M+HCOO]- 371.01468 163.6
[M+CH3COO]- 385.03033 208.2
[M+Na-2H]- 346.99115 163.2
[M]+ 326.01593 143.9
[M]- 326.01703 143.9
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

No patent data available for this compound.