CID 14319460

1,3-bis(tridecafluorohexyl)benzene

Structural Information

Molecular Formula
C18H4F26
SMILES
C1=CC(=CC(=C1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C18H4F26/c19-7(20,9(23,24)11(27,28)13(31,32)15(35,36)17(39,40)41)5-2-1-3-6(4-5)8(21,22)10(25,26)12(29,30)14(33,34)16(37,38)18(42,43)44/h1-4H
InChIKey
PJIMUKRRXVIXOA-UHFFFAOYSA-N
Compound name
1,3-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

713.9898 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 714.99708 192.9
[M+Na]+ 736.97902 198.0
[M-H]- 712.98252 202.4
[M+NH4]+ 732.02362 204.2
[M+K]+ 752.95296 210.2
[M+H-H2O]+ 696.98706 181.0
[M+HCOO]- 758.98800 213.8
[M+CH3COO]- 773.00365 264.9
[M+Na-2H]- 734.96447 194.8
[M]+ 713.98925 190.8
[M]- 713.99035 190.8
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

patents stripe