CID 23156913

5-bromo-n,2-dimethylbenzamide

Structural Information

Molecular Formula
C9H10BrNO
SMILES
CC1=C(C=C(C=C1)Br)C(=O)NC
InChI
InChI=1S/C9H10BrNO/c1-6-3-4-7(10)5-8(6)9(12)11-2/h3-5H,1-2H3,(H,11,12)
InChIKey
HQMSFKCYMRDNAE-UHFFFAOYSA-N
Compound name
5-bromo-N,2-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

226.99458 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.00186 140.2
[M+Na]+ 249.98380 151.7
[M-H]- 225.98730 146.9
[M+NH4]+ 245.02840 162.0
[M+K]+ 265.95774 140.7
[M+H-H2O]+ 209.99184 140.0
[M+HCOO]- 271.99278 162.5
[M+CH3COO]- 286.00843 189.8
[M+Na-2H]- 247.96925 147.0
[M]+ 226.99403 158.6
[M]- 226.99513 158.6
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

patents stripe