CID 15670830

67851-51-8

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

112
Patents

189.0112 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.018476 136.5
[M+Na]+ 212.000418 146.4
[M-H]- 188.003924 139.2
[M+NH4]+ 207.045023 157.3
[M+K]+ 227.974358 140.8
[M+H-H2O]+ 172.008460 132.8
[M+HCOO]- 234.009401 152.0
[M+CH3COO]- 248.025051 183.3
[M+Na-2H]- 209.985866 141.6
[M]+ 189.01065142 137.9
[M]- 189.01174858 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

patents stripe