CID 59297287

96383-55-0

Structural Information

Molecular Formula
C11H6ClF13O2
SMILES
C=C(C(=O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Cl
InChI
InChI=1S/C11H6ClF13O2/c1-4(12)5(26)27-3-2-6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)25/h1-3H2
InChIKey
HIRPFUWZIZCTAN-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-chloroprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

49
Patents

451.98486 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.99214 178.1
[M+Na]+ 474.97408 172.7
[M-H]- 450.97758 170.8
[M+NH4]+ 470.01868 175.1
[M+K]+ 490.94802 182.4
[M+H-H2O]+ 434.98212 165.5
[M+HCOO]- 496.98306 182.2
[M+CH3COO]- 510.99871 227.3
[M+Na-2H]- 472.95953 179.3
[M]+ 451.98431 165.6
[M]- 451.98541 165.6
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