CID 15670830

2-(3,5-dichlorophenyl)ethanamine

Structural Information

Molecular Formula
C8H9Cl2N
SMILES
C1=C(C=C(C=C1Cl)Cl)CCN
InChI
InChI=1S/C8H9Cl2N/c9-7-3-6(1-2-11)4-8(10)5-7/h3-5H,1-2,11H2
InChIKey
HEEUTZAJXBKBEJ-UHFFFAOYSA-N
Compound name
2-(3,5-dichlorophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

189.0112 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.01848 135.1
[M+Na]+ 212.00042 149.8
[M+NH4]+ 207.04502 145.1
[M+K]+ 227.97436 141.4
[M-H]- 188.00392 138.5
[M+Na-2H]- 209.98587 143.0
[M]+ 189.01065 138.8
[M]- 189.01175 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

No literature data available for this compound.

Patent stripe

patents stripe