CID 62948392

2-amino-4,4,5,5,6,6,6-heptafluorohexan-3-ol

Structural Information

Molecular Formula
C6H8F7NO
SMILES
CC(C(C(C(C(F)(F)F)(F)F)(F)F)O)N
InChI
InChI=1S/C6H8F7NO/c1-2(14)3(15)4(7,8)5(9,10)6(11,12)13/h2-3,15H,14H2,1H3
InChIKey
JRAGLFPCCTUAAH-UHFFFAOYSA-N
Compound name
2-amino-4,4,5,5,6,6,6-heptafluorohexan-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

243.04941 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.05669 142.6
[M+Na]+ 266.03863 149.7
[M-H]- 242.04213 132.5
[M+NH4]+ 261.08323 158.4
[M+K]+ 282.01257 148.0
[M+H-H2O]+ 226.04667 133.3
[M+HCOO]- 288.04761 151.4
[M+CH3COO]- 302.06326 193.1
[M+Na-2H]- 264.02408 144.2
[M]+ 243.04886 129.2
[M]- 243.04996 129.2
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

No patent data available for this compound.