CID 10177266

Propan-2-yl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate

Structural Information

Molecular Formula
C9H7F11O3
SMILES
CC(C)OC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C9H7F11O3/c1-3(2)22-4(21)5(10,7(13,14)15)23-9(19,20)6(11,12)8(16,17)18/h3H,1-2H3
InChIKey
KRPLOVIXXGDVMC-UHFFFAOYSA-N
Compound name
propan-2-yl 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

17
Patents

372.02194 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.02922 166.7
[M+Na]+ 395.01116 175.2
[M-H]- 371.01466 154.4
[M+NH4]+ 390.05576 162.0
[M+K]+ 410.98510 173.9
[M+H-H2O]+ 355.01920 154.6
[M+HCOO]- 417.02014 170.5
[M+CH3COO]- 431.03579 214.7
[M+Na-2H]- 392.99661 168.7
[M]+ 372.02139 152.9
[M]- 372.02249 152.9
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

patents stripe