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

437
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 136.3
[M+Na]+ 212.00042 146.0
[M-H]- 188.00392 139.2
[M+NH4]+ 207.04502 157.1
[M+K]+ 227.97436 140.8
[M+H-H2O]+ 172.00846 132.8
[M+HCOO]- 234.00940 150.9
[M+CH3COO]- 248.02505 184.2
[M+Na-2H]- 209.98587 140.3
[M]+ 189.01065 137.2
[M]- 189.01175 137.2
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