CID 217235

38338-89-5

Structural Information

Molecular Formula
C12H18Cl2N2O
SMILES
CCN(CC)CC(C1=CC(=C(C(=C1)Cl)N)Cl)O
InChI
InChI=1S/C12H18Cl2N2O/c1-3-16(4-2)7-11(17)8-5-9(13)12(15)10(14)6-8/h5-6,11,17H,3-4,7,15H2,1-2H3
InChIKey
JCPNIXZDHDOCPA-UHFFFAOYSA-N
Compound name
1-(4-amino-3,5-dichlorophenyl)-2-(diethylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

276.07962 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.08690 162.5
[M+Na]+ 299.06884 170.3
[M-H]- 275.07234 165.2
[M+NH4]+ 294.11344 179.7
[M+K]+ 315.04278 165.3
[M+H-H2O]+ 259.07688 158.1
[M+HCOO]- 321.07782 176.1
[M+CH3COO]- 335.09347 205.0
[M+Na-2H]- 297.05429 162.6
[M]+ 276.07907 165.5
[M]- 276.08017 165.5
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