CID 110146

N-(4-bromo-2,6-dichloro-3-methylphenyl)acetamide

Structural Information

Molecular Formula
C9H8BrCl2NO
SMILES
CC1=C(C=C(C(=C1Cl)NC(=O)C)Cl)Br
InChI
InChI=1S/C9H8BrCl2NO/c1-4-6(10)3-7(11)9(8(4)12)13-5(2)14/h3H,1-2H3,(H,13,14)
InChIKey
MRPNWLPYJSSISQ-UHFFFAOYSA-N
Compound name
N-(4-bromo-2,6-dichloro-3-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

294.91663 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.92391 149.1
[M+Na]+ 317.90585 163.8
[M-H]- 293.90935 155.6
[M+NH4]+ 312.95045 170.1
[M+K]+ 333.87979 149.4
[M+H-H2O]+ 277.91389 150.8
[M+HCOO]- 339.91483 162.2
[M+CH3COO]- 353.93048 199.8
[M+Na-2H]- 315.89130 153.7
[M]+ 294.91608 170.8
[M]- 294.91718 170.8
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