CID 121003731

2802-65-5

Structural Information

Molecular Formula
C12H18F7NO2
SMILES
CCCCNC(CC(=O)OCC)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H18F7NO2/c1-3-5-6-20-8(7-9(21)22-4-2)10(13,14)11(15,16)12(17,18)19/h8,20H,3-7H2,1-2H3
InChIKey
JZAVLGVXYZAKEC-UHFFFAOYSA-N
Compound name
ethyl 3-(butylamino)-4,4,5,5,6,6,6-heptafluorohexanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

341.1226 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.12988 172.1
[M+Na]+ 364.11182 177.5
[M-H]- 340.11532 162.8
[M+NH4]+ 359.15642 184.9
[M+K]+ 380.08576 175.4
[M+H-H2O]+ 324.11986 161.3
[M+HCOO]- 386.12080 181.5
[M+CH3COO]- 400.13645 214.2
[M+Na-2H]- 362.09727 172.4
[M]+ 341.12205 164.5
[M]- 341.12315 164.5
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.