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

135
Patents

212.97893 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.98621 136.5
[M+Na]+ 235.96815 148.2
[M-H]- 211.97165 142.7
[M+NH4]+ 231.01275 158.4
[M+K]+ 251.94209 137.1
[M+H-H2O]+ 195.97619 136.3
[M+HCOO]- 257.97713 158.4
[M+CH3COO]- 271.99278 187.0
[M+Na-2H]- 233.95360 142.6
[M]+ 212.97838 153.6
[M]- 212.97948 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