CID 2782412

1005033-64-6

Structural Information

Molecular Formula
C19H3F35O7
SMILES
COC(=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)(F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F
InChI
InChI=1S/C19H3F35O7/c1-56-2(55)3(20,9(27,28)29)57-16(47,48)5(23,11(33,34)35)59-18(51,52)7(25,13(39,40)41)61-19(53,54)8(26,14(42,43)44)60-17(49,50)6(24,12(36,37)38)58-15(45,46)4(21,22)10(30,31)32/h1H3
InChIKey
NAACZQXGLFTQLX-UHFFFAOYSA-N
Compound name
methyl 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-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1007.932 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1008.939276 240.6
[M+Na]+ 1030.921218 241.3
[M-H]- 1006.924724 255.9
[M+NH4]+ 1025.965823 255.1
[M+K]+ 1046.895158 256.9
[M+H-H2O]+ 990.929260 228.4
[M+HCOO]- 1052.930201 253.2
[M+CH3COO]- 1066.945851 277.4
[M+Na-2H]- 1028.906666 242.9
[M]+ 1007.93145142 238.7
[M]- 1007.93254858 238.7
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.