CID 2735223

N-(4-bromo-2-ethylphenyl)acetamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

241.01022 Da
Monoisotopic Mass

2.3
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

literature stripe

Patent stripe

patents stripe