CID 2734094

870717-94-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

120
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

literature stripe

Patent stripe

patents stripe