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]+ 1045.212876 259.0
[M+Na]+ 1067.194818 259.6
[M-H]- 1043.198324 268.3
[M+NH4]+ 1062.239423 270.4
[M+K]+ 1083.168758 278.1
[M+H-H2O]+ 1027.202860 244.8
[M+HCOO]- 1089.203801 270.9
[M+CH3COO]- 1103.219451 290.9
[M+Na-2H]- 1065.180266 257.8
[M]+ 1044.20505142 255.8
[M]- 1044.20614858 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.