CID 125096

1,1,1,2,2-pentafluorohexane

Structural Information

Molecular Formula
C6H9F5
SMILES
CCCCC(C(F)(F)F)(F)F
InChI
InChI=1S/C6H9F5/c1-2-3-4-5(7,8)6(9,10)11/h2-4H2,1H3
InChIKey
YVTUKCQAIFPUQE-UHFFFAOYSA-N
Compound name
1,1,1,2,2-pentafluorohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

421
Patents

176.06244 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06972 131.3
[M+Na]+ 199.05166 139.7
[M-H]- 175.05516 125.4
[M+NH4]+ 194.09626 151.6
[M+K]+ 215.02560 138.3
[M+H-H2O]+ 159.05970 123.5
[M+HCOO]- 221.06064 146.6
[M+CH3COO]- 235.07629 181.7
[M+Na-2H]- 197.03711 136.8
[M]+ 176.06189 125.0
[M]- 176.06299 125.0
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