CID 57171354

3,3,4,4,5,5,5-heptafluoropentan-2-amine

Structural Information

Molecular Formula
C5H6F7N
SMILES
CC(C(C(C(F)(F)F)(F)F)(F)F)N
InChI
InChI=1S/C5H6F7N/c1-2(13)3(6,7)4(8,9)5(10,11)12/h2H,13H2,1H3
InChIKey
VYXXEPNGYRIBCL-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,5-heptafluoropentan-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

213.03885 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.04613 135.6
[M+Na]+ 236.02807 143.7
[M-H]- 212.03157 127.0
[M+NH4]+ 231.07267 153.3
[M+K]+ 252.00201 142.2
[M+H-H2O]+ 196.03611 126.2
[M+HCOO]- 258.03705 146.8
[M+CH3COO]- 272.05270 189.9
[M+Na-2H]- 234.01352 139.1
[M]+ 213.03830 122.9
[M]- 213.03940 122.9
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