CID 138393853

2-(4-bromo-2-chlorophenyl)-n,n-dimethylacetamide

Structural Information

Molecular Formula
C10H11BrClNO
SMILES
CN(C)C(=O)CC1=C(C=C(C=C1)Br)Cl
InChI
InChI=1S/C10H11BrClNO/c1-13(2)10(14)5-7-3-4-8(11)6-9(7)12/h3-4,6H,5H2,1-2H3
InChIKey
HOLNMSLPDIQLTG-UHFFFAOYSA-N
Compound name
2-(4-bromo-2-chlorophenyl)-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.97125 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.97853 149.6
[M+Na]+ 297.96047 161.9
[M-H]- 273.96397 157.4
[M+NH4]+ 293.00507 171.1
[M+K]+ 313.93441 149.9
[M+H-H2O]+ 257.96851 149.9
[M+HCOO]- 319.96945 167.8
[M+CH3COO]- 333.98510 199.4
[M+Na-2H]- 295.94592 154.9
[M]+ 274.97070 171.5
[M]- 274.97180 171.5
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

No patent data available for this compound.