CID 22002932

Perfluorobutylpentane

Structural Information

Molecular Formula
C9H11F9
SMILES
CCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H11F9/c1-2-3-4-5-6(10,11)7(12,13)8(14,15)9(16,17)18/h2-5H2,1H3
InChIKey
GYDMBTYTWYNRGO-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4-nonafluorononane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

318
Patents

290.07172 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.07900 156.6
[M+Na]+ 313.06094 164.7
[M-H]- 289.06444 145.9
[M+NH4]+ 308.10554 171.7
[M+K]+ 329.03488 161.8
[M+H-H2O]+ 273.06898 145.5
[M+HCOO]- 335.06992 163.5
[M+CH3COO]- 349.08557 203.7
[M+Na-2H]- 311.04639 159.7
[M]+ 290.07117 144.3
[M]- 290.07227 144.3
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.