CID 25417812

4-bromo-3,5-dimethyl-benzamide

Structural Information

Molecular Formula
C9H10BrNO
SMILES
CC1=CC(=CC(=C1Br)C)C(=O)N
InChI
InChI=1S/C9H10BrNO/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4H,1-2H3,(H2,11,12)
InChIKey
ATWMWAQQPBRPCA-UHFFFAOYSA-N
Compound name
4-bromo-3,5-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

226.99458 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.00186 140.4
[M+Na]+ 249.98380 152.6
[M-H]- 225.98730 146.9
[M+NH4]+ 245.02840 162.1
[M+K]+ 265.95774 141.2
[M+H-H2O]+ 209.99184 140.2
[M+HCOO]- 271.99278 162.0
[M+CH3COO]- 286.00843 190.9
[M+Na-2H]- 247.96925 145.4
[M]+ 226.99403 158.2
[M]- 226.99513 158.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe