CID 217229

38338-83-9

Structural Information

Molecular Formula
C10H14Br2N2O
SMILES
CCNCC(C1=CC(=C(C(=C1)Br)N)Br)O
InChI
InChI=1S/C10H14Br2N2O/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
GQPCXPDZCYDJGD-UHFFFAOYSA-N
Compound name
1-(4-amino-3,5-dibromophenyl)-2-(ethylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.9473 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.95458 155.0
[M+Na]+ 358.93652 163.6
[M-H]- 334.94002 159.7
[M+NH4]+ 353.98112 171.4
[M+K]+ 374.91046 146.3
[M+H-H2O]+ 318.94456 160.2
[M+HCOO]- 380.94550 169.7
[M+CH3COO]- 394.96115 212.1
[M+Na-2H]- 356.92197 158.5
[M]+ 335.94675 186.2
[M]- 335.94785 186.2
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