CID 83409984

1-(3,5-dichloro-2-fluorophenyl)ethan-1-amine hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.00179 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.009066 137.6
[M+Na]+ 229.991008 148.3
[M-H]- 205.994514 139.5
[M+NH4]+ 225.035613 158.0
[M+K]+ 245.964948 142.8
[M+H-H2O]+ 189.999050 133.5
[M+HCOO]- 251.999991 151.2
[M+CH3COO]- 266.015641 188.0
[M+Na-2H]- 227.976456 140.5
[M]+ 207.00124142 137.9
[M]- 207.00233858 137.9
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

No patent data available for this compound.