CID 2496562

89981-75-9

Structural Information

Molecular Formula
C8H9Cl2N
SMILES
C[C@@H](C1=C(C=C(C=C1)Cl)Cl)N
InChI
InChI=1S/C8H9Cl2N/c1-5(11)7-3-2-6(9)4-8(7)10/h2-5H,11H2,1H3/t5-/m0/s1
InChIKey
OUVZHZAOWDHBOU-YFKPBYRVSA-N
Compound name
(1S)-1-(2,4-dichlorophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

431
Patents

189.0112 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.01848 135.7
[M+Na]+ 212.00042 150.0
[M+NH4]+ 207.04502 145.5
[M+K]+ 227.97436 142.4
[M-H]- 188.00392 138.9
[M+Na-2H]- 209.98587 143.2
[M]+ 189.01065 139.3
[M]- 189.01175 139.3
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

patents stripe