CID 98455506

243842-15-1

Structural Information

Molecular Formula
C11H11F9O2
SMILES
CC(=C)C(=O)OCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H11F9O2/c1-6(2)7(21)22-5-3-4-8(12,13)9(14,15)10(16,17)11(18,19)20/h1,3-5H2,2H3
InChIKey
WOISXUMMZSMYSB-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,7-nonafluoroheptyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

346.06152 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.06880 166.3
[M+Na]+ 369.05074 173.8
[M-H]- 345.05424 155.4
[M+NH4]+ 364.09534 179.0
[M+K]+ 385.02468 171.2
[M+H-H2O]+ 329.05878 155.1
[M+HCOO]- 391.05972 171.6
[M+CH3COO]- 405.07537 211.8
[M+Na-2H]- 367.03619 166.9
[M]+ 346.06097 154.9
[M]- 346.06207 154.9
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