CID 15938555

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

Structural Information

Molecular Formula
C16H7F17O4
SMILES
C1=CC=C(C=C1)COC(=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/C16H7F17O4/c17-9(12(21,22)23,8(34)35-6-7-4-2-1-3-5-7)36-16(32,33)11(20,14(27,28)29)37-15(30,31)10(18,19)13(24,25)26/h1-5H,6H2
InChIKey
DWLOORGSOPGRDQ-UHFFFAOYSA-N
Compound name
benzyl 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

586.00726 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.01454 169.5
[M+Na]+ 608.99648 176.6
[M-H]- 584.99998 178.1
[M+NH4]+ 604.04108 181.9
[M+K]+ 624.97042 182.5
[M+H-H2O]+ 569.00452 161.4
[M+HCOO]- 631.00546 192.3
[M+CH3COO]- 645.02111 246.6
[M+Na-2H]- 606.98193 169.0
[M]+ 586.00671 168.9
[M]- 586.00781 168.9
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.