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]+ 208.00907 137.6
[M+Na]+ 229.99101 148.3
[M-H]- 205.99451 139.5
[M+NH4]+ 225.03561 158.0
[M+K]+ 245.96495 142.8
[M+H-H2O]+ 189.99905 133.5
[M+HCOO]- 251.99999 151.2
[M+CH3COO]- 266.01564 188.0
[M+Na-2H]- 227.97646 140.5
[M]+ 207.00124 137.9
[M]- 207.00234 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.