CID 59126256

1,1,1,2,2,3,3,4,4,5,5-undecafluorooctane

Structural Information

Molecular Formula
C8H7F11
SMILES
CCCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H7F11/c1-2-3-4(9,10)5(11,12)6(13,14)7(15,16)8(17,18)19/h2-3H2,1H3
InChIKey
JPCSERNSJZWYPU-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5-undecafluorooctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

65
Patents

312.0372 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.04448 157.9
[M+Na]+ 335.02642 166.9
[M-H]- 311.02992 145.6
[M+NH4]+ 330.07102 171.8
[M+K]+ 351.00036 164.0
[M+H-H2O]+ 295.03446 145.8
[M+HCOO]- 357.03540 161.6
[M+CH3COO]- 371.05105 207.4
[M+Na-2H]- 333.01187 161.3
[M]+ 312.03665 141.6
[M]- 312.03775 141.6
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