CID 90011

Acetamide, 2-(3-bromo-4-butoxyphenyl)-

Structural Information

Molecular Formula
C12H16BrNO2
SMILES
CCCCOC1=C(C=CC(=C1)NC(=O)C)Br
InChI
InChI=1S/C12H16BrNO2/c1-3-4-7-16-12-8-10(14-9(2)15)5-6-11(12)13/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)
InChIKey
TUQPJCMSJUKKKF-UHFFFAOYSA-N
Compound name
N-(4-bromo-3-butoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.03644 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.04372 156.6
[M+Na]+ 308.02566 158.8
[M+NH4]+ 303.07026 160.6
[M+K]+ 323.99960 158.6
[M-H]- 284.02916 157.1
[M+Na-2H]- 306.01111 159.1
[M]+ 285.03589 155.8
[M]- 285.03699 155.8
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

No patent data available for this compound.