CID 10171492

2-(4-bromophenyl)-2-hydroxybutanamide

Structural Information

Molecular Formula
C10H12BrNO2
SMILES
CCC(C1=CC=C(C=C1)Br)(C(=O)N)O
InChI
InChI=1S/C10H12BrNO2/c1-2-10(14,9(12)13)7-3-5-8(11)6-4-7/h3-6,14H,2H2,1H3,(H2,12,13)
InChIKey
HLTFSWQHCVTZFI-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-2-hydroxybutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

257.00513 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.01241 150.5
[M+Na]+ 279.99435 160.2
[M-H]- 255.99785 154.8
[M+NH4]+ 275.03895 169.7
[M+K]+ 295.96829 148.6
[M+H-H2O]+ 240.00239 150.1
[M+HCOO]- 302.00333 168.9
[M+CH3COO]- 316.01898 191.4
[M+Na-2H]- 277.97980 156.2
[M]+ 257.00458 166.9
[M]- 257.00568 166.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe