CID 13375169

Prop-2-en-1-yl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate

Structural Information

Molecular Formula
C9H5F11O3
SMILES
C=CCOC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C9H5F11O3/c1-2-3-22-4(21)5(10,7(13,14)15)23-9(19,20)6(11,12)8(16,17)18/h2H,1,3H2
InChIKey
NRZXKIZZNBTMRQ-UHFFFAOYSA-N
Compound name
prop-2-enyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

370.00632 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.01360 167.0
[M+Na]+ 392.99554 175.9
[M-H]- 368.99904 154.6
[M+NH4]+ 388.04014 157.3
[M+K]+ 408.96948 173.5
[M+H-H2O]+ 353.00358 154.7
[M+HCOO]- 415.00452 169.7
[M+CH3COO]- 429.02017 213.0
[M+Na-2H]- 390.98099 169.9
[M]+ 370.00577 153.1
[M]- 370.00687 153.1
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