CID 101549662

(perfluorohexadecyl)hexadecane

Structural Information

Molecular Formula
C32H33F33
SMILES
CCCCCCCCCCCCCCCCC(C(C(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C32H33F33/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(33,34)18(35,36)19(37,38)20(39,40)21(41,42)22(43,44)23(45,46)24(47,48)25(49,50)26(51,52)27(53,54)28(55,56)29(57,58)30(59,60)31(61,62)32(63,64)65/h2-16H2,1H3
InChIKey
WUEFAVOYPVTDCM-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-tritriacontafluorodotriacontane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1044.2056 Da
Monoisotopic Mass

19.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1045.2129 259.0
[M+Na]+ 1067.1948 259.6
[M-H]- 1043.1983 268.3
[M+NH4]+ 1062.2394 270.4
[M+K]+ 1083.1688 278.1
[M+H-H2O]+ 1027.2029 244.8
[M+HCOO]- 1089.2038 270.9
[M+CH3COO]- 1103.2195 290.9
[M+Na-2H]- 1065.1803 257.8
[M]+ 1044.2051 255.8
[M]- 1044.2061 255.8
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

No patent data available for this compound.