CID 54005613

Perfluorodecahydro-1-(perfluorobutyl)naphthalene

Structural Information

Molecular Formula
C14F26
SMILES
C12(C(C(C(C(C1(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F)(F)F)(F)F)(F)F)(C(C(C(C2(F)F)(F)F)(F)F)(F)F)F)F
InChI
InChI=1S/C14F26/c15-1-2(16,7(24,25)11(32,33)10(30,31)4(1,18)19)5(20,21)9(28,29)6(22,23)3(1,17)8(26,27)12(34,35)13(36,37)14(38,39)40
InChIKey
KOQYZEXXQFIMRZ-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8a-heptadecafluoro-8-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)naphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

149
Patents

661.9585 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 662.96578 206.5
[M+Na]+ 684.94772 225.6
[M-H]- 660.95122 193.2
[M+NH4]+ 679.99232 222.9
[M+K]+ 700.92166 220.9
[M+H-H2O]+ 644.95576 195.1
[M+HCOO]- 706.95670 196.3
[M+CH3COO]- 720.97235 257.2
[M+Na-2H]- 682.93317 208.4
[M]+ 661.95795 179.2
[M]- 661.95905 179.2
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

patents stripe