CID 62948219

1-amino-3,3,4,4,4-pentafluorobutan-2-ol hydrochloride

Structural Information

Molecular Formula
C4H6F5NO
SMILES
C(C(C(C(F)(F)F)(F)F)O)N
InChI
InChI=1S/C4H6F5NO/c5-3(6,2(11)1-10)4(7,8)9/h2,11H,1,10H2
InChIKey
FSQUFJQIPQSOBE-UHFFFAOYSA-N
Compound name
1-amino-3,3,4,4,4-pentafluorobutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.03696 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.04424 129.5
[M+Na]+ 202.02618 137.1
[M-H]- 178.02968 121.9
[M+NH4]+ 197.07078 148.1
[M+K]+ 218.00012 135.7
[M+H-H2O]+ 162.03422 121.6
[M+HCOO]- 224.03516 143.6
[M+CH3COO]- 238.05081 179.7
[M+Na-2H]- 200.01163 133.4
[M]+ 179.03641 119.4
[M]- 179.03751 119.4
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.