CID 3689239

2-(2,4-difluorophenyl)ethan-1-amine

Structural Information

Molecular Formula
C8H9F2N
SMILES
C1=CC(=C(C=C1F)F)CCN
InChI
InChI=1S/C8H9F2N/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3-4,11H2
InChIKey
OGCUAECIKFVXQG-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

157.07031 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.07759 128.3
[M+Na]+ 180.05953 137.3
[M-H]- 156.06303 129.4
[M+NH4]+ 175.10413 149.2
[M+K]+ 196.03347 134.4
[M+H-H2O]+ 140.06757 121.2
[M+HCOO]- 202.06851 151.5
[M+CH3COO]- 216.08416 180.2
[M+Na-2H]- 178.04498 133.7
[M]+ 157.06976 124.5
[M]- 157.07086 124.5
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