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

20
Patents

173.04076 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.04804 131.3
[M+Na]+ 196.02998 144.1
[M+NH4]+ 191.07458 140.3
[M+K]+ 212.00392 137.4
[M-H]- 172.03348 133.2
[M+Na-2H]- 194.01543 138.2
[M]+ 173.04021 133.9
[M]- 173.04131 133.9
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