CID 268358

336-53-8

Structural Information

Molecular Formula
C5H6F7NO
SMILES
C(C(C(C(C(F)(F)F)(F)F)(F)F)O)N
InChI
InChI=1S/C5H6F7NO/c6-3(7,2(14)1-13)4(8,9)5(10,11)12/h2,14H,1,13H2
InChIKey
ZEEMDIXYCUOCAK-UHFFFAOYSA-N
Compound name
1-amino-3,3,4,4,5,5,5-heptafluoropentan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

229.03377 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.04105 138.7
[M+Na]+ 252.02299 146.4
[M-H]- 228.02649 128.7
[M+NH4]+ 247.06759 155.1
[M+K]+ 267.99693 144.4
[M+H-H2O]+ 212.03103 129.4
[M+HCOO]- 274.03197 148.8
[M+CH3COO]- 288.04762 189.3
[M+Na-2H]- 250.00844 141.9
[M]+ 229.03322 125.5
[M]- 229.03432 125.5
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.