CID 45072168

1217449-55-2

Structural Information

Molecular Formula
C8H9ClFN
SMILES
C[C@H](C1=C(C(=CC=C1)Cl)F)N
InChI
InChI=1S/C8H9ClFN/c1-5(11)6-3-2-4-7(9)8(6)10/h2-5H,11H2,1H3/t5-/m1/s1
InChIKey
SCEUCESYXQXKOY-RXMQYKEDSA-N
Compound name
(1R)-1-(3-chloro-2-fluorophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

173.04076 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.048036 132.2
[M+Na]+ 196.029978 141.6
[M-H]- 172.033484 134.5
[M+NH4]+ 191.074583 153.3
[M+K]+ 212.003918 137.6
[M+H-H2O]+ 156.038020 127.0
[M+HCOO]- 218.038961 150.9
[M+CH3COO]- 232.054611 182.1
[M+Na-2H]- 194.015426 136.5
[M]+ 173.04021142 131.0
[M]- 173.04130858 131.0
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