CID 890424

N-(2-bromo-4,5-dimethylphenyl)acetamide

Structural Information

Molecular Formula
C10H12BrNO
SMILES
CC1=CC(=C(C=C1C)Br)NC(=O)C
InChI
InChI=1S/C10H12BrNO/c1-6-4-9(11)10(5-7(6)2)12-8(3)13/h4-5H,1-3H3,(H,12,13)
InChIKey
SUNBHBXAMLHMAE-UHFFFAOYSA-N
Compound name
N-(2-bromo-4,5-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

241.01022 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.01750 144.1
[M+Na]+ 263.99944 156.0
[M-H]- 240.00294 151.0
[M+NH4]+ 259.04404 165.7
[M+K]+ 279.97338 144.8
[M+H-H2O]+ 224.00748 143.8
[M+HCOO]- 286.00842 166.1
[M+CH3COO]- 300.02407 193.7
[M+Na-2H]- 261.98489 149.7
[M]+ 241.00967 163.2
[M]- 241.01077 163.2
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