CID 6481866

Ii-galae[c16][f8c7]

Structural Information

Molecular Formula
C39H60F17NO7
SMILES
CCCCCCCCCCCCCCCCN(CCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C(=O)CCCCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C39H60F17NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-22-57(23-24-63-31-30(62)29(61)28(60)26(25-58)64-31)27(59)20-17-14-15-18-21-32(40,41)33(42,43)34(44,45)35(46,47)36(48,49)37(50,51)38(52,53)39(54,55)56/h26,28-31,58,60-62H,2-25H2,1H3/t26-,28+,29+,30-,31-/m1/s1
InChIKey
KKJSGMVMUBPVML-HPLFBIAMSA-N
Compound name
8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-N-hexadecyl-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]pentadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

977.40985 Da
Monoisotopic Mass

13.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 978.41713 265.9
[M+Na]+ 1000.3991 266.5
[M-H]- 976.40257 273.3
[M+NH4]+ 995.44367 275.5
[M+K]+ 1016.3730 282.4
[M+H-H2O]+ 960.40711 253.1
[M+HCOO]- 1022.4081 275.6
[M+CH3COO]- 1036.4237 309.8
[M+Na-2H]- 998.38452 252.6
[M]+ 977.40930 262.3
[M]- 977.41040 262.3
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.