CID 526473

Propyl perfluoroheptanoate

Structural Information

Molecular Formula
C10H7F13O2
SMILES
CCCOC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H7F13O2/c1-2-3-25-4(24)5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2-3H2,1H3
InChIKey
TWMBCWLVFGAURH-UHFFFAOYSA-N
Compound name
propyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

406.02383 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.03111 180.7
[M+Na]+ 429.01305 180.6
[M+NH4]+ 424.05765 179.7
[M+K]+ 444.98699 179.4
[M-H]- 405.01655 176.1
[M+Na-2H]- 426.99850 178.8
[M]+ 406.02328 179.2
[M]- 406.02438 179.2
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