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

53
Patents

260.9556 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.96288 144.9
[M+Na]+ 283.94482 157.5
[M-H]- 259.94832 152.8
[M+NH4]+ 278.98942 166.9
[M+K]+ 299.91876 145.8
[M+H-H2O]+ 243.95286 145.3
[M+HCOO]- 305.95380 163.3
[M+CH3COO]- 319.96945 196.6
[M+Na-2H]- 281.93027 150.7
[M]+ 260.95505 166.4
[M]- 260.95615 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