CID 418964

Akos012246220

Structural Information

Molecular Formula
C7H10F7NO
SMILES
CCC(C(C(C(C(F)(F)F)(F)F)(F)F)O)N
InChI
InChI=1S/C7H10F7NO/c1-2-3(15)4(16)5(8,9)6(10,11)7(12,13)14/h3-4,16H,2,15H2,1H3
InChIKey
MNNHOKAMXOAGCN-UHFFFAOYSA-N
Compound name
5-amino-1,1,1,2,2,3,3-heptafluoroheptan-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

257.06506 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.07234 147.4
[M+Na]+ 280.05428 154.0
[M-H]- 256.05778 137.1
[M+NH4]+ 275.09888 162.6
[M+K]+ 296.02822 152.1
[M+H-H2O]+ 240.06232 137.8
[M+HCOO]- 302.06326 155.8
[M+CH3COO]- 316.07891 196.1
[M+Na-2H]- 278.03973 148.4
[M]+ 257.06451 134.3
[M]- 257.06561 134.3
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.