CID 104081

N-(4-bromo-3-ethylphenyl)acetamide

Structural Information

Molecular Formula
C10H12BrNO
SMILES
CCC1=C(C=CC(=C1)NC(=O)C)Br
InChI
InChI=1S/C10H12BrNO/c1-3-8-6-9(12-7(2)13)4-5-10(8)11/h4-6H,3H2,1-2H3,(H,12,13)
InChIKey
XOESARZYJCTBMO-UHFFFAOYSA-N
Compound name
N-(4-bromo-3-ethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

241.01022 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.017496 144.9
[M+Na]+ 263.999438 155.9
[M-H]- 240.002944 151.4
[M+NH4]+ 259.044043 166.1
[M+K]+ 279.973378 144.7
[M+H-H2O]+ 224.007480 144.4
[M+HCOO]- 286.008421 166.9
[M+CH3COO]- 300.024071 192.6
[M+Na-2H]- 261.984886 151.1
[M]+ 241.00967142 163.6
[M]- 241.01076858 163.6
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