CID 85762576

Dtxsid70895364

Structural Information

Molecular Formula
C23H27F21
SMILES
CCCCCCCCCCCCCC(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/C23H27F21/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)20(36,37)21(38,39)22(40,41)23(42,43)44/h2-13H2,1H3
InChIKey
URXIWFCBPQLZEP-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-henicosafluorotricosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

702.17773 Da
Monoisotopic Mass

14.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 703.18501 213.8
[M+Na]+ 725.16695 217.0
[M-H]- 701.17045 218.2
[M+NH4]+ 720.21155 223.2
[M+K]+ 741.14089 231.6
[M+H-H2O]+ 685.17499 200.4
[M+HCOO]- 747.17593 230.0
[M+CH3COO]- 761.19158 270.3
[M+Na-2H]- 723.15240 209.7
[M]+ 702.17718 211.9
[M]- 702.17828 211.9
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.