CID 165899294

(4r)-4-amino-4-(4-chloro-3-fluorophenyl)butan-1-ol hydrochloride

Structural Information

Molecular Formula
C10H13ClFNO
SMILES
C1=CC(=C(C=C1[C@@H](CCCO)N)F)Cl
InChI
InChI=1S/C10H13ClFNO/c11-8-4-3-7(6-9(8)12)10(13)2-1-5-14/h3-4,6,10,14H,1-2,5,13H2/t10-/m1/s1
InChIKey
WVXZTNKXUIFWGC-SNVBAGLBSA-N
Compound name
(4R)-4-amino-4-(4-chloro-3-fluorophenyl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.06697 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.07425 145.0
[M+Na]+ 240.05619 153.1
[M-H]- 216.05969 145.5
[M+NH4]+ 235.10079 163.5
[M+K]+ 256.03013 148.1
[M+H-H2O]+ 200.06423 139.4
[M+HCOO]- 262.06517 161.8
[M+CH3COO]- 276.08082 187.6
[M+Na-2H]- 238.04164 147.6
[M]+ 217.06642 144.1
[M]- 217.06752 144.1
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.