CID 10989098

116010-06-1

Structural Information

Molecular Formula
C9H9BrClNO
SMILES
CC1=CC(=C(C=C1Cl)NC(=O)C)Br
InChI
InChI=1S/C9H9BrClNO/c1-5-3-7(10)9(4-8(5)11)12-6(2)13/h3-4H,1-2H3,(H,12,13)
InChIKey
QIMHWSBYSKKYFR-UHFFFAOYSA-N
Compound name
N-(2-bromo-5-chloro-4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

260.9556 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.96288 145.6
[M+Na]+ 283.94482 149.9
[M+NH4]+ 278.98942 150.7
[M+K]+ 299.91876 149.2
[M-H]- 259.94832 146.7
[M+Na-2H]- 281.93027 149.1
[M]+ 260.95505 145.6
[M]- 260.95615 145.6
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