CID 138394611

1,12-bis(perfluorodecyl)-n-dodecane

Structural Information

Molecular Formula
C32H24F42
SMILES
C(CCCCCCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCCCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C32H24F42/c33-13(34,15(37,38)17(41,42)19(45,46)21(49,50)23(53,54)25(57,58)27(61,62)29(65,66)31(69,70)71)11-9-7-5-3-1-2-4-6-8-10-12-14(35,36)16(39,40)18(43,44)20(47,48)22(51,52)24(55,56)26(59,60)28(63,64)30(67,68)32(72,73)74/h1-12H2
InChIKey
VABACYFDDRVUKV-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31,32,32,32-dotetracontafluorodotriacontane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1206.1207 Da
Monoisotopic Mass

20.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1207.127976 275.6
[M+Na]+ 1229.109918 275.8
[M-H]- 1205.113424 286.3
[M+NH4]+ 1224.154523 285.4
[M+K]+ 1245.083858 291.3
[M+H-H2O]+ 1189.117960 264.4
[M+HCOO]- 1251.118901 285.2
[M+CH3COO]- 1265.134551 283.8
[M+Na-2H]- 1227.095366 277.4
[M]+ 1206.12015142 268.2
[M]- 1206.12124858 268.2
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.