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]+ 1207.1280 275.6
[M+Na]+ 1229.1099 275.8
[M-H]- 1205.1134 286.3
[M+NH4]+ 1224.1545 285.4
[M+K]+ 1245.0839 291.3
[M+H-H2O]+ 1189.1180 264.4
[M+HCOO]- 1251.1189 285.2
[M+CH3COO]- 1265.1346 283.8
[M+Na-2H]- 1227.0954 277.4
[M]+ 1206.1202 268.2
[M]- 1206.1212 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.