CID 71412532

Ethyl 3-amino-4,4,5,5,6,6,6-heptafluorohex-2-enoate

Structural Information

Molecular Formula
C8H8F7NO2
SMILES
CCOC(=O)C=C(C(C(C(F)(F)F)(F)F)(F)F)N
InChI
InChI=1S/C8H8F7NO2/c1-2-18-5(17)3-4(16)6(9,10)7(11,12)8(13,14)15/h3H,2,16H2,1H3
InChIKey
UARYAHHBHPRGQL-UHFFFAOYSA-N
Compound name
ethyl 3-amino-4,4,5,5,6,6,6-heptafluorohex-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

283.0443 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.05158 152.1
[M+Na]+ 306.03352 159.5
[M-H]- 282.03702 143.1
[M+NH4]+ 301.07812 166.9
[M+K]+ 322.00746 157.4
[M+H-H2O]+ 266.04156 142.1
[M+HCOO]- 328.04250 162.4
[M+CH3COO]- 342.05815 200.2
[M+Na-2H]- 304.01897 153.4
[M]+ 283.04375 141.2
[M]- 283.04485 141.2
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

No patent data available for this compound.