CID 99647746

Dtxsid60895398

Structural Information

Molecular Formula
C21H19F25
SMILES
CCCCCCCCCC(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
InChI
InChI=1S/C21H19F25/c1-2-3-4-5-6-7-8-9-10(22,23)11(24,25)12(26,27)13(28,29)14(30,31)15(32,33)16(34,35)17(36,37)18(38,39)19(40,41)20(42,43)21(44,45)46/h2-9H2,1H3
InChIKey
RQMJRNGTYOKIPQ-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-pentacosafluorohenicosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

746.10876 Da
Monoisotopic Mass

13.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 747.11604 213.5
[M+Na]+ 769.09798 216.3
[M-H]- 745.10148 221.3
[M+NH4]+ 764.14258 224.4
[M+K]+ 785.07192 232.0
[M+H-H2O]+ 729.10602 199.6
[M+HCOO]- 791.10696 229.9
[M+CH3COO]- 805.12261 271.7
[M+Na-2H]- 767.08343 212.2
[M]+ 746.10821 211.6
[M]- 746.10931 211.6
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.