CID 86376

125328-80-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

260.9556 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.962876 145.0
[M+Na]+ 283.944818 158.3
[M-H]- 259.948324 151.8
[M+NH4]+ 278.989423 166.6
[M+K]+ 299.918758 145.2
[M+H-H2O]+ 243.952860 145.7
[M+HCOO]- 305.953801 162.9
[M+CH3COO]- 319.969451 194.4
[M+Na-2H]- 281.930266 150.7
[M]+ 260.95505142 165.5
[M]- 260.95614858 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