CID 85573570

Dtxsid10895404

Structural Information

Molecular Formula
C27H37F19
SMILES
CCCCCCCCCCCCCCCCCCC(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
InChI
InChI=1S/C27H37F19/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)24(38,39)25(40,41)26(42,43)27(44,45)46/h2-18H2,1H3
InChIKey
WIQPYNBDVBQYTG-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluoroheptacosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

722.2592 Da
Monoisotopic Mass

16.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 723.26648 224.6
[M+Na]+ 745.24842 227.6
[M-H]- 721.25192 226.1
[M+NH4]+ 740.29302 233.1
[M+K]+ 761.22236 242.4
[M+H-H2O]+ 705.25646 211.4
[M+HCOO]- 767.25740 239.7
[M+CH3COO]- 781.27305 275.9
[M+Na-2H]- 743.23387 218.0
[M]+ 722.25865 222.5
[M]- 722.25975 222.5
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.