CID 54573643

N-ethyl-2,2,3,3,4,4,4-heptafluorobutan-1-amine

Structural Information

Molecular Formula
C6H8F7N
SMILES
CCNCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H8F7N/c1-2-14-3-4(7,8)5(9,10)6(11,12)13/h14H,2-3H2,1H3
InChIKey
KMIMRUFRWCAQJQ-UHFFFAOYSA-N
Compound name
N-ethyl-2,2,3,3,4,4,4-heptafluorobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

227.05449 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06177 140.7
[M+Na]+ 250.04371 148.6
[M-H]- 226.04721 132.3
[M+NH4]+ 245.08831 158.2
[M+K]+ 266.01765 146.7
[M+H-H2O]+ 210.05175 130.9
[M+HCOO]- 272.05269 153.2
[M+CH3COO]- 286.06834 192.8
[M+Na-2H]- 248.02916 145.8
[M]+ 227.05394 130.0
[M]- 227.05504 130.0
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