CID 18678984

1,1,1,2,2,3,3,4,4-nonafluoropentane

Structural Information

Molecular Formula
C5H3F9
SMILES
CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C5H3F9/c1-2(6,7)3(8,9)4(10,11)5(12,13)14/h1H3
InChIKey
RGRJUIGTKHAMBM-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4-nonafluoropentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1539
Patents

234.00911 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.01639 137.6
[M+Na]+ 256.99833 147.3
[M-H]- 233.00183 127.6
[M+NH4]+ 252.04293 154.9
[M+K]+ 272.97227 145.4
[M+H-H2O]+ 217.00637 127.3
[M+HCOO]- 279.00731 145.7
[M+CH3COO]- 293.02296 192.1
[M+Na-2H]- 254.98378 142.8
[M]+ 234.00856 123.8
[M]- 234.00966 123.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe