CID 217240

38338-96-4

Structural Information

Molecular Formula
C12H18BrClN2O
SMILES
CCN(CC)CC(C1=CC(=C(C(=C1)Br)N)Cl)O
InChI
InChI=1S/C12H18BrClN2O/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
JLTWGRIDXGUBNF-UHFFFAOYSA-N
Compound name
1-(4-amino-3-bromo-5-chlorophenyl)-2-(diethylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

320.0291 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.03638 166.1
[M+Na]+ 343.01832 176.4
[M-H]- 319.02182 171.6
[M+NH4]+ 338.06292 184.5
[M+K]+ 358.99226 163.0
[M+H-H2O]+ 303.02636 165.1
[M+HCOO]- 365.02730 182.0
[M+CH3COO]- 379.04295 209.2
[M+Na-2H]- 341.00377 167.9
[M]+ 320.02855 185.9
[M]- 320.02965 185.9
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