CID 22284216

2-amino-3-(perfluoropropyl)-1-phenyl-3-propanol

Structural Information

Molecular Formula
C12H12F7NO
SMILES
C1=CC=C(C=C1)CC(C(C(C(C(F)(F)F)(F)F)(F)F)O)N
InChI
InChI=1S/C12H12F7NO/c13-10(14,11(15,16)12(17,18)19)9(21)8(20)6-7-4-2-1-3-5-7/h1-5,8-9,21H,6,20H2
InChIKey
OAJRTQKSHFARBK-UHFFFAOYSA-N
Compound name
2-amino-4,4,5,5,6,6,6-heptafluoro-1-phenylhexan-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

319.08072 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.08800 163.5
[M+Na]+ 342.06994 169.5
[M-H]- 318.07344 156.0
[M+NH4]+ 337.11454 176.0
[M+K]+ 358.04388 165.5
[M+H-H2O]+ 302.07798 152.3
[M+HCOO]- 364.07892 171.9
[M+CH3COO]- 378.09457 206.1
[M+Na-2H]- 340.05539 164.7
[M]+ 319.08017 150.4
[M]- 319.08127 150.4
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

patents stripe