CID 99647768

Dtxsid90895447

Structural Information

Molecular Formula
C25H25F27
SMILES
CCCCCCCCCCCCC(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
InChI
InChI=1S/C25H25F27/c1-2-3-4-5-6-7-8-9-10-11-12-13(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)24(48,49)25(50,51)52/h2-12H2,1H3
InChIKey
MMAZMULOSQZKJE-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-heptacosafluoropentacosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

838.1525 Da
Monoisotopic Mass

15.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 839.15978 229.5
[M+Na]+ 861.14172 231.4
[M-H]- 837.14522 237.4
[M+NH4]+ 856.18632 240.6
[M+K]+ 877.11566 248.6
[M+H-H2O]+ 821.14976 215.0
[M+HCOO]- 883.15070 244.3
[M+CH3COO]- 897.16635 280.5
[M+Na-2H]- 859.12717 227.6
[M]+ 838.15195 227.3
[M]- 838.15305 227.3
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.