CID 99769079

Dtxsid90895326

Structural Information

Molecular Formula
C18H20F18
SMILES
C(CCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C18H20F18/c19-11(20,13(23,24)15(27,28)17(31,32)33)9-7-5-3-1-2-4-6-8-10-12(21,22)14(25,26)16(29,30)18(34,35)36/h1-10H2
InChIKey
UNNUZQVXLSJZPN-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,15,15,16,16,17,17,18,18,18-octadecafluorooctadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

578.12775 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.13503 191.2
[M+Na]+ 601.11697 196.0
[M-H]- 577.12047 193.5
[M+NH4]+ 596.16157 198.9
[M+K]+ 617.09091 206.6
[M+H-H2O]+ 561.12501 180.1
[M+HCOO]- 623.12595 209.1
[M+CH3COO]- 637.14160 252.7
[M+Na-2H]- 599.10242 187.7
[M]+ 578.12720 188.8
[M]- 578.12830 188.8
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.