CID 244158

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

Structural Information

Molecular Formula
C9H10BrNO2
SMILES
CC(=O)NC1=CC(=C(C=C1)OC)Br
InChI
InChI=1S/C9H10BrNO2/c1-6(12)11-7-3-4-9(13-2)8(10)5-7/h3-5H,1-2H3,(H,11,12)
InChIKey
FOMGGBXHSUSZFZ-UHFFFAOYSA-N
Compound name
N-(3-bromo-4-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

242.98949 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.996766 142.9
[M+Na]+ 265.978708 154.2
[M-H]- 241.982214 149.5
[M+NH4]+ 261.023313 164.0
[M+K]+ 281.952648 143.7
[M+H-H2O]+ 225.986750 142.3
[M+HCOO]- 287.987691 165.4
[M+CH3COO]- 302.003341 191.7
[M+Na-2H]- 263.964156 149.6
[M]+ 242.98894142 162.6
[M]- 242.99003858 162.6
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