CID 14503614

1-(2-amino-4-bromophenyl)ethanone

Structural Information

Molecular Formula
C8H8BrNO
SMILES
CC(=O)C1=C(C=C(C=C1)Br)N
InChI
InChI=1S/C8H8BrNO/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,10H2,1H3
InChIKey
RCGAXUAOILUCAA-UHFFFAOYSA-N
Compound name
1-(2-amino-4-bromophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
Patents

212.97893 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.986206 136.5
[M+Na]+ 235.968148 148.2
[M-H]- 211.971654 142.7
[M+NH4]+ 231.012753 158.4
[M+K]+ 251.942088 137.1
[M+H-H2O]+ 195.976190 136.3
[M+HCOO]- 257.977131 158.4
[M+CH3COO]- 271.992781 187.0
[M+Na-2H]- 233.953596 142.6
[M]+ 212.97838142 153.6
[M]- 212.97947858 153.6
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