CID 15938552

Propyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate

Structural Information

Molecular Formula
C12H7F17O4
SMILES
CCCOC(=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/C12H7F17O4/c1-2-3-31-4(30)5(13,8(17,18)19)32-12(28,29)7(16,10(23,24)25)33-11(26,27)6(14,15)9(20,21)22/h2-3H2,1H3
InChIKey
JWWKWKYBBAZYRD-UHFFFAOYSA-N
Compound name
propyl 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

0
Patents

538.00726 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.01454 172.4
[M+Na]+ 560.99648 177.7
[M-H]- 536.99998 181.1
[M+NH4]+ 556.04108 184.5
[M+K]+ 576.97042 185.8
[M+H-H2O]+ 521.00452 163.0
[M+HCOO]- 583.00546 191.6
[M+CH3COO]- 597.02111 240.5
[M+Na-2H]- 558.98193 171.3
[M]+ 538.00671 171.6
[M]- 538.00781 171.6
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.