CID 217237

38338-92-0

Structural Information

Molecular Formula
C9H12BrClN2O
SMILES
CNCC(C1=CC(=C(C(=C1)Br)N)Cl)O
InChI
InChI=1S/C9H12BrClN2O/c1-13-4-8(14)5-2-6(10)9(12)7(11)3-5/h2-3,8,13-14H,4,12H2,1H3
InChIKey
DFJZQFFZKJNSGR-UHFFFAOYSA-N
Compound name
1-(4-amino-3-bromo-5-chlorophenyl)-2-(methylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.98215 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.98943 152.4
[M+Na]+ 300.97137 163.7
[M-H]- 276.97487 157.0
[M+NH4]+ 296.01597 171.8
[M+K]+ 316.94531 149.7
[M+H-H2O]+ 260.97941 152.1
[M+HCOO]- 322.98035 168.8
[M+CH3COO]- 336.99600 197.7
[M+Na-2H]- 298.95682 156.4
[M]+ 277.98160 170.0
[M]- 277.98270 170.0
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.