CID 19098705

216389-85-4

Structural Information

Molecular Formula
C12H9F13O2
SMILES
C=CC(=O)OCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H9F13O2/c1-2-6(26)27-5-3-4-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h2H,1,3-5H2
InChIKey
NNGYYMQQINPHJN-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

96
Patents

432.0395 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.04678 161.7
[M+Na]+ 455.02872 169.3
[M-H]- 431.03222 166.0
[M+NH4]+ 450.07332 170.6
[M+K]+ 471.00266 188.4
[M+H-H2O]+ 415.03676 170.1
[M+HCOO]- 477.03770 181.4
[M+CH3COO]- 491.05335 226.2
[M+Na-2H]- 453.01417 185.1
[M]+ 432.03895 160.9
[M]- 432.04005 160.9
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