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

53
Patents

242.98949 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.99677 142.9
[M+Na]+ 265.97871 154.2
[M-H]- 241.98221 149.5
[M+NH4]+ 261.02331 164.0
[M+K]+ 281.95265 143.7
[M+H-H2O]+ 225.98675 142.3
[M+HCOO]- 287.98769 165.4
[M+CH3COO]- 302.00334 191.7
[M+Na-2H]- 263.96416 149.6
[M]+ 242.98894 162.6
[M]- 242.99004 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