CID 13878524

2-propenoic acid, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononyl ester

Structural Information

Molecular Formula
C12H7F15O2
SMILES
C=CC(=O)OCCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H7F15O2/c1-2-5(28)29-4-3-6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h2H,1,3-4H2
InChIKey
PKPKRTXQJZSNCQ-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

67
Patents

468.02066 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.02794 164.9
[M+Na]+ 491.00988 172.0
[M-H]- 467.01338 171.2
[M+NH4]+ 486.05448 175.0
[M+K]+ 506.98382 178.2
[M+H-H2O]+ 451.01792 156.5
[M+HCOO]- 513.01886 184.6
[M+CH3COO]- 527.03451 232.0
[M+Na-2H]- 488.99533 164.1
[M]+ 468.02011 164.0
[M]- 468.02121 164.0
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