CID 2776148

3,6,9,12,15,18-hexaoxaheneicosanoyl fluoride, 2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,20,21,21,21-tricosafluoro-2,5,8,11,14,17-hexakis(trifluoromethyl)-

Structural Information

Molecular Formula
C21F42O7
SMILES
C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(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
InChI
InChI=1S/C21F42O7/c22-1(64)2(23,9(31,32)33)65-17(54,55)4(26,11(37,38)39)67-19(58,59)6(28,13(43,44)45)69-21(62,63)8(30,15(49,50)51)70-20(60,61)7(29,14(46,47)48)68-18(56,57)5(27,12(40,41)42)66-16(52,53)3(24,25)10(34,35)36
InChIKey
WWLDXJJOBWJDPA-UHFFFAOYSA-N
Compound name
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propanoyl fluoride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

1161.8973 Da
Monoisotopic Mass

14.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1162.9046 264.4
[M+Na]+ 1184.8865 264.7
[M-H]- 1160.8900 278.6
[M+NH4]+ 1179.9311 276.5
[M+K]+ 1200.8605 278.7
[M+H-H2O]+ 1144.8946 254.1
[M+HCOO]- 1206.8955 274.2
[M+CH3COO]- 1220.9112 277.0
[M+Na-2H]- 1182.8720 267.6
[M]+ 1161.8968 258.7
[M]- 1161.8978 258.7
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.