CID 11211

559-11-5

Structural Information

Molecular Formula
C10H5F13O2
SMILES
C=CC(=O)OCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H5F13O2/c1-2-4(24)25-3-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2H,1,3H2
InChIKey
XJAVADKMAMZXPW-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

185
Patents

404.0082 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.01548 174.7
[M+Na]+ 426.99742 183.6
[M-H]- 403.00092 158.9
[M+NH4]+ 422.04202 163.0
[M+K]+ 442.97136 180.4
[M+H-H2O]+ 387.00546 161.3
[M+HCOO]- 449.00640 174.4
[M+CH3COO]- 463.02205 220.8
[M+Na-2H]- 424.98287 176.9
[M]+ 404.00765 153.5
[M]- 404.00875 153.5
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