CID 80979901

4-bromo-3-chloro-n,n-dimethylbenzamide

Structural Information

Molecular Formula
C9H9BrClNO
SMILES
CN(C)C(=O)C1=CC(=C(C=C1)Br)Cl
InChI
InChI=1S/C9H9BrClNO/c1-12(2)9(13)6-3-4-7(10)8(11)5-6/h3-5H,1-2H3
InChIKey
YDZUJZNFBSMIAA-UHFFFAOYSA-N
Compound name
4-bromo-3-chloro-N,N-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
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 144.9
[M+Na]+ 283.944818 157.5
[M-H]- 259.948324 152.8
[M+NH4]+ 278.989423 166.9
[M+K]+ 299.918758 145.8
[M+H-H2O]+ 243.952860 145.3
[M+HCOO]- 305.953801 163.3
[M+CH3COO]- 319.969451 196.6
[M+Na-2H]- 281.930266 150.7
[M]+ 260.95505142 166.4
[M]- 260.95614858 166.4
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