CID 216181

Brn 2977550

Structural Information

Molecular Formula
C11H16BrClN2O
SMILES
CCN(C)CC(C1=CC(=C(C(=C1)Br)N)Cl)O
InChI
InChI=1S/C11H16BrClN2O/c1-3-15(2)6-10(16)7-4-8(12)11(14)9(13)5-7/h4-5,10,16H,3,6,14H2,1-2H3
InChIKey
FNBJTBUDNSYCBS-UHFFFAOYSA-N
Compound name
1-(4-amino-3-bromo-5-chlorophenyl)-2-[ethyl(methyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.01346 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.02074 161.4
[M+Na]+ 329.00268 172.2
[M-H]- 305.00618 167.2
[M+NH4]+ 324.04728 180.4
[M+K]+ 344.97662 159.0
[M+H-H2O]+ 289.01072 160.7
[M+HCOO]- 351.01166 177.7
[M+CH3COO]- 365.02731 206.4
[M+Na-2H]- 326.98813 163.8
[M]+ 306.01291 180.9
[M]- 306.01401 180.9
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.