CID 2776157

142502-76-9

Structural Information

Molecular Formula
C10H9F13O2
SMILES
COC(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC
InChI
InChI=1S/C10H9F13O2/c1-24-4(25-2)3-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h4H,3H2,1-2H3
InChIKey
BYPGRUVLTPMKIS-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8,8-dimethoxyoctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

408.0395 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.04678 177.9
[M+Na]+ 431.02872 186.2
[M-H]- 407.03222 160.9
[M+NH4]+ 426.07332 165.7
[M+K]+ 447.00266 184.2
[M+H-H2O]+ 391.03676 164.4
[M+HCOO]- 453.03770 176.4
[M+CH3COO]- 467.05335 223.4
[M+Na-2H]- 429.01417 180.0
[M]+ 408.03895 157.1
[M]- 408.04005 157.1
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