CID 22715439

226909-72-4

Structural Information

Molecular Formula
C7H3F13O
SMILES
COC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H3F13O/c1-21-7(19,20)5(14,15)3(10,11)2(8,9)4(12,13)6(16,17)18/h1H3
InChIKey
BRWBDEIUJSDQGV-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-methoxyhexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1154
Patents

349.99762 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.00490 163.2
[M+Na]+ 372.98684 172.8
[M-H]- 348.99034 149.4
[M+NH4]+ 368.03144 175.2
[M+K]+ 388.96078 170.4
[M+H-H2O]+ 332.99488 150.0
[M+HCOO]- 394.99582 163.9
[M+CH3COO]- 409.01147 212.9
[M+Na-2H]- 370.97229 167.1
[M]+ 349.99707 144.1
[M]- 349.99817 144.1
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