CID 217239

38338-94-2

Structural Information

Molecular Formula
C10H14BrClN2O
SMILES
CCNCC(C1=CC(=C(C(=C1)Br)N)Cl)O
InChI
InChI=1S/C10H14BrClN2O/c1-2-14-5-9(15)6-3-7(11)10(13)8(12)4-6/h3-4,9,14-15H,2,5,13H2,1H3
InChIKey
XNAZJFPLQLEESP-UHFFFAOYSA-N
Compound name
1-(4-amino-3-bromo-5-chlorophenyl)-2-(ethylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.9978 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.00508 156.9
[M+Na]+ 314.98702 167.9
[M-H]- 290.99052 161.4
[M+NH4]+ 310.03162 175.8
[M+K]+ 330.96096 153.6
[M+H-H2O]+ 274.99506 156.5
[M+HCOO]- 336.99600 173.0
[M+CH3COO]- 351.01165 200.5
[M+Na-2H]- 312.97247 160.5
[M]+ 291.99725 174.9
[M]- 291.99835 174.9
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

No patent data available for this compound.