CID 84040348

2-amino-1-(3-chloro-5-fluorophenyl)propan-1-ol

Structural Information

Molecular Formula
C9H11ClFNO
SMILES
CC(C(C1=CC(=CC(=C1)Cl)F)O)N
InChI
InChI=1S/C9H11ClFNO/c1-5(12)9(13)6-2-7(10)4-8(11)3-6/h2-5,9,13H,12H2,1H3
InChIKey
GAFTVDZYKAATRP-UHFFFAOYSA-N
Compound name
2-amino-1-(3-chloro-5-fluorophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.05132 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.05860 140.3
[M+Na]+ 226.04054 148.6
[M-H]- 202.04404 141.2
[M+NH4]+ 221.08514 159.4
[M+K]+ 242.01448 144.4
[M+H-H2O]+ 186.04858 135.1
[M+HCOO]- 248.04952 156.5
[M+CH3COO]- 262.06517 185.5
[M+Na-2H]- 224.02599 142.3
[M]+ 203.05077 138.5
[M]- 203.05187 138.5
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.