CID 83725983

1980049-85-1

Structural Information

Molecular Formula
C8H7BrClNO
SMILES
C1=C(C=C(C=C1Cl)Br)C(=O)CN
InChI
InChI=1S/C8H7BrClNO/c9-6-1-5(8(12)4-11)2-7(10)3-6/h1-3H,4,11H2
InChIKey
NEVSPROIZPRZCI-UHFFFAOYSA-N
Compound name
2-amino-1-(3-bromo-5-chlorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.93996 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.94724 141.7
[M+Na]+ 269.92918 154.5
[M-H]- 245.93268 147.9
[M+NH4]+ 264.97378 163.3
[M+K]+ 285.90312 141.3
[M+H-H2O]+ 229.93722 142.5
[M+HCOO]- 291.93816 159.4
[M+CH3COO]- 305.95381 190.5
[M+Na-2H]- 267.91463 147.6
[M]+ 246.93941 160.7
[M]- 246.94051 160.7
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.