CID 217238

38338-93-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.9978 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.00508 156.8
[M+Na]+ 314.98702 168.0
[M-H]- 290.99052 162.7
[M+NH4]+ 310.03162 176.4
[M+K]+ 330.96096 155.0
[M+H-H2O]+ 274.99506 156.3
[M+HCOO]- 336.99600 173.4
[M+CH3COO]- 351.01165 203.6
[M+Na-2H]- 312.97247 159.7
[M]+ 291.99725 176.0
[M]- 291.99835 176.0
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.