CID 3833141

1-(2,4-dichloro-5-fluorophenyl)ethanamine

Structural Information

Molecular Formula
C8H8Cl2FN
SMILES
CC(C1=CC(=C(C=C1Cl)Cl)F)N
InChI
InChI=1S/C8H8Cl2FN/c1-4(12)5-2-8(11)7(10)3-6(5)9/h2-4H,12H2,1H3
InChIKey
UUGIXMDBIAKDBF-UHFFFAOYSA-N
Compound name
1-(2,4-dichloro-5-fluorophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

207.00179 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.00907 135.9
[M+Na]+ 229.99101 149.4
[M+NH4]+ 225.03561 144.9
[M+K]+ 245.96495 142.4
[M-H]- 205.99451 137.6
[M+Na-2H]- 227.97646 142.5
[M]+ 207.00124 138.8
[M]- 207.00234 138.8
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