CID 53403634

1644456-75-6

Structural Information

Molecular Formula
C8H9ClFN
SMILES
C1=CC(=C(C=C1Cl)F)CCN
InChI
InChI=1S/C8H9ClFN/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3-4,11H2
InChIKey
LPKKDFRWZPFMHL-UHFFFAOYSA-N
Compound name
2-(4-chloro-2-fluorophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

173.04076 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.04804 130.8
[M+Na]+ 196.02998 143.9
[M+NH4]+ 191.07458 140.0
[M+K]+ 212.00392 136.5
[M-H]- 172.03348 132.9
[M+Na-2H]- 194.01543 138.1
[M]+ 173.04021 133.5
[M]- 173.04131 133.5
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

patents stripe