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

18
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 156.9
[M+Na]+ 306.01000 165.8
[M-H]- 282.01350 162.7
[M+NH4]+ 301.05460 175.8
[M+K]+ 321.98394 154.9
[M+H-H2O]+ 266.01804 155.7
[M+HCOO]- 328.01898 176.6
[M+CH3COO]- 342.03463 199.9
[M+Na-2H]- 303.99545 160.2
[M]+ 283.02023 175.3
[M]- 283.02133 175.3
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