CID 71329924

93491-54-4

Structural Information

Molecular Formula
C14H10F17NO2
SMILES
CN(CCOC(=O)C=C)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H10F17NO2/c1-3-6(33)34-5-4-32(2)14(30,31)12(25,26)10(21,22)8(17,18)7(15,16)9(19,20)11(23,24)13(27,28)29/h3H,1,4-5H2,2H3
InChIKey
ZEVGQZNTYAKDNY-UHFFFAOYSA-N
Compound name
2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl(methyl)amino]ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

547.044 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.05128 182.6
[M+Na]+ 570.03322 190.7
[M-H]- 546.03672 193.4
[M+NH4]+ 565.07782 195.9
[M+K]+ 586.00716 199.0
[M+H-H2O]+ 530.04126 173.2
[M+HCOO]- 592.04220 199.1
[M+CH3COO]- 606.05785 249.2
[M+Na-2H]- 568.01867 182.0
[M]+ 547.04345 180.2
[M]- 547.04455 180.2
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