CID 62947884

3,3,4,4,5,5,5-heptafluoropentan-1-amine

Structural Information

Molecular Formula
C5H6F7N
SMILES
C(CN)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C5H6F7N/c6-3(7,1-2-13)4(8,9)5(10,11)12/h1-2,13H2
InChIKey
WGFQLGIMKURNCU-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,5-heptafluoropentan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

213.03885 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.04613 136.2
[M+Na]+ 236.02807 144.6
[M-H]- 212.03157 127.5
[M+NH4]+ 231.07267 154.0
[M+K]+ 252.00201 142.5
[M+H-H2O]+ 196.03611 126.7
[M+HCOO]- 258.03705 148.4
[M+CH3COO]- 272.05270 189.1
[M+Na-2H]- 234.01352 140.9
[M]+ 213.03830 124.2
[M]- 213.03940 124.2
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