CID 31978

23543-34-2

Structural Information

Molecular Formula
C9H7BrCl3NO
SMILES
CN(C1=CC(=C(C=C1Cl)Cl)Cl)C(=O)CBr
InChI
InChI=1S/C9H7BrCl3NO/c1-14(9(15)4-10)8-3-6(12)5(11)2-7(8)13/h2-3H,4H2,1H3
InChIKey
DLPGMQDDSGDXES-UHFFFAOYSA-N
Compound name
2-bromo-N-methyl-N-(2,4,5-trichlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.87766 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.88494 153.4
[M+Na]+ 351.86688 167.5
[M-H]- 327.87038 159.8
[M+NH4]+ 346.91148 173.4
[M+K]+ 367.84082 153.5
[M+H-H2O]+ 311.87492 155.3
[M+HCOO]- 373.87586 161.9
[M+CH3COO]- 387.89151 206.5
[M+Na-2H]- 349.85233 157.1
[M]+ 328.87711 175.6
[M]- 328.87821 175.6
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

No patent data available for this compound.