CID 16218245

932710-57-1

Structural Information

Molecular Formula
C31H17ClF26O2
SMILES
C1=CC2=C(C=C1CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C3=C2C=CC(=C3)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)COC(=O)Cl
InChI
InChI=1S/C31H17ClF26O2/c32-19(59)60-11-18-16-9-12(5-7-20(33,34)22(37,38)24(41,42)26(45,46)28(49,50)30(53,54)55)1-3-14(16)15-4-2-13(10-17(15)18)6-8-21(35,36)23(39,40)25(43,44)27(47,48)29(51,52)31(56,57)58/h1-4,9-10,18H,5-8,11H2
InChIKey
ZJELYAAWYLRRJI-UHFFFAOYSA-N
Compound name
[2,7-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-9H-fluoren-9-yl]methyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

950.0502 Da
Monoisotopic Mass

14.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 951.05748 167.2
[M+Na]+ 973.03942 167.2
[M+NH4]+ 968.08402 167.3
[M+K]+ 989.01336 167.4
[M-H]- 949.04292 167.2
[M+Na-2H]- 971.02487 167.4
[M]+ 950.04965 167.2
[M]- 950.05075 167.2
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.