CID 217259

38339-26-3

Structural Information

Molecular Formula
C8H10Br2N2O
SMILES
C1=C(C=C(C(=C1Br)N)Br)C(CN)O
InChI
InChI=1S/C8H10Br2N2O/c9-5-1-4(7(13)3-11)2-6(10)8(5)12/h1-2,7,13H,3,11-12H2
InChIKey
PTOYZWMPVDIPLR-UHFFFAOYSA-N
Compound name
2-amino-1-(4-amino-3,5-dibromophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

307.916 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.92328 148.1
[M+Na]+ 330.90522 157.3
[M-H]- 306.90872 152.7
[M+NH4]+ 325.94982 165.1
[M+K]+ 346.87916 140.1
[M+H-H2O]+ 290.91326 153.5
[M+HCOO]- 352.91420 162.8
[M+CH3COO]- 366.92985 207.1
[M+Na-2H]- 328.89067 151.6
[M]+ 307.91545 178.0
[M]- 307.91655 178.0
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

patents stripe