CID 418966

5,5,6,6,7,7,7-heptafluoroheptan-3-amine

Structural Information

Molecular Formula
C7H10F7N
SMILES
CCC(CC(C(C(F)(F)F)(F)F)(F)F)N
InChI
InChI=1S/C7H10F7N/c1-2-4(15)3-5(8,9)6(10,11)7(12,13)14/h4H,2-3,15H2,1H3
InChIKey
DXAXUZKHVAYWHE-UHFFFAOYSA-N
Compound name
5,5,6,6,7,7,7-heptafluoroheptan-3-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

241.07014 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.07742 145.1
[M+Na]+ 264.05936 152.4
[M-H]- 240.06286 136.1
[M+NH4]+ 259.10396 161.7
[M+K]+ 280.03330 150.3
[M+H-H2O]+ 224.06740 135.3
[M+HCOO]- 286.06834 155.7
[M+CH3COO]- 300.08399 195.9
[M+Na-2H]- 262.04481 147.5
[M]+ 241.06959 133.1
[M]- 241.07069 133.1
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.