CID 12751209

76145-88-5

Structural Information

Molecular Formula
C11H5F17O4
SMILES
CCOC(=O)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
InChI
InChI=1S/C11H5F17O4/c1-2-30-3(29)4(12,7(16,17)18)31-11(27,28)6(15,9(22,23)24)32-10(25,26)5(13,14)8(19,20)21/h2H2,1H3
InChIKey
QGEWHUSMIVYAOX-UHFFFAOYSA-N
Compound name
ethyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

523.99164 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.99892 168.7
[M+Na]+ 546.98086 174.1
[M-H]- 522.98436 177.7
[M+NH4]+ 542.02546 180.8
[M+K]+ 562.95480 181.9
[M+H-H2O]+ 506.98890 159.4
[M+HCOO]- 568.98984 188.2
[M+CH3COO]- 583.00549 238.1
[M+Na-2H]- 544.96631 168.0
[M]+ 523.99109 168.0
[M]- 523.99219 168.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe