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 145.0
[M+Na]+ 283.94482 158.3
[M-H]- 259.94832 151.8
[M+NH4]+ 278.98942 166.6
[M+K]+ 299.91876 145.2
[M+H-H2O]+ 243.95286 145.7
[M+HCOO]- 305.95380 162.9
[M+CH3COO]- 319.96945 194.4
[M+Na-2H]- 281.93027 150.7
[M]+ 260.95505 165.5
[M]- 260.95615 165.5
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