CID 98452375

1,1,1,2,2,3,3,4,4-nonafluorooctadecane

Structural Information

Molecular Formula
C18H29F9
SMILES
CCCCCCCCCCCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C18H29F9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(19,20)16(21,22)17(23,24)18(25,26)27/h2-14H2,1H3
InChIKey
AFRUDOKTWQGZAU-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4-nonafluorooctadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

416.21255 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.21983 198.4
[M+Na]+ 439.20177 203.0
[M-H]- 415.20527 186.0
[M+NH4]+ 434.24637 184.7
[M+K]+ 455.17571 197.8
[M+H-H2O]+ 399.20981 185.6
[M+HCOO]- 461.21075 199.9
[M+CH3COO]- 475.22640 229.4
[M+Na-2H]- 437.18722 196.8
[M]+ 416.21200 189.5
[M]- 416.21310 189.5
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