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]+ 723.266476 224.6
[M+Na]+ 745.248418 227.6
[M-H]- 721.251924 226.1
[M+NH4]+ 740.293023 233.1
[M+K]+ 761.222358 242.4
[M+H-H2O]+ 705.256460 211.4
[M+HCOO]- 767.257401 239.7
[M+CH3COO]- 781.273051 275.9
[M+Na-2H]- 743.233866 218.0
[M]+ 722.25865142 222.5
[M]- 722.25974858 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.