CID 965264

2-(2-bromo-4-chlorophenoxy)acetamide

Structural Information

Molecular Formula
C8H7BrClNO2
SMILES
C1=CC(=C(C=C1Cl)Br)OCC(=O)N
InChI
InChI=1S/C8H7BrClNO2/c9-6-3-5(10)1-2-7(6)13-4-8(11)12/h1-3H,4H2,(H2,11,12)
InChIKey
QSZOHTMLLFZIEX-UHFFFAOYSA-N
Compound name
2-(2-bromo-4-chlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.93488 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.942156 144.1
[M+Na]+ 285.924098 156.7
[M-H]- 261.927604 150.2
[M+NH4]+ 280.968703 164.9
[M+K]+ 301.898038 144.0
[M+H-H2O]+ 245.932140 144.5
[M+HCOO]- 307.933081 161.9
[M+CH3COO]- 321.948731 192.5
[M+Na-2H]- 283.909546 150.0
[M]+ 262.93433142 164.4
[M]- 262.93542858 164.4
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.