CID 89856442

Dtxsid20895399

Structural Information

Molecular Formula
C23H23F25
SMILES
CCCCCCCCCCCC(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/C23H23F25/c1-2-3-4-5-6-7-8-9-10-11-12(24,25)13(26,27)14(28,29)15(30,31)16(32,33)17(34,35)18(36,37)19(38,39)20(40,41)21(42,43)22(44,45)23(46,47)48/h2-11H2,1H3
InChIKey
RTCMPAJWKUGKPP-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-pentacosafluorotricosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

774.1401 Da
Monoisotopic Mass

14.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 775.14738 152.6
[M+Na]+ 797.12932 152.6
[M+NH4]+ 792.17392 152.6
[M+K]+ 813.10326 152.6
[M-H]- 773.13282 152.6
[M+Na-2H]- 795.11477 152.6
[M]+ 774.13955 152.6
[M]- 774.14065 152.6
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

patents stripe