CID 63386157

N-[4-(2-bromobutanoyl)phenyl]acetamide

Structural Information

Molecular Formula
C12H14BrNO2
SMILES
CCC(C(=O)C1=CC=C(C=C1)NC(=O)C)Br
InChI
InChI=1S/C12H14BrNO2/c1-3-11(13)12(16)9-4-6-10(7-5-9)14-8(2)15/h4-7,11H,3H2,1-2H3,(H,14,15)
InChIKey
KVUIKXCSRNPPMJ-UHFFFAOYSA-N
Compound name
N-[4-(2-bromobutanoyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

283.02078 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.02806 153.1
[M+Na]+ 306.01000 154.4
[M+NH4]+ 301.05460 156.6
[M+K]+ 321.98394 155.5
[M-H]- 282.01350 153.0
[M+Na-2H]- 303.99545 155.2
[M]+ 283.02023 151.8
[M]- 283.02133 151.8
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

patents stripe