CID 45015

63887-02-5

Structural Information

Molecular Formula
C10H12BrNO3
SMILES
CNC(=O)C1=C(C=CC(=C1)Br)OCCO
InChI
InChI=1S/C10H12BrNO3/c1-12-10(14)8-6-7(11)2-3-9(8)15-5-4-13/h2-3,6,13H,4-5H2,1H3,(H,12,14)
InChIKey
SOBYBGYFETUFEY-UHFFFAOYSA-N
Compound name
5-bromo-2-(2-hydroxyethoxy)-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.00006 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.00734 151.9
[M+Na]+ 295.98928 153.5
[M+NH4]+ 291.03388 155.2
[M+K]+ 311.96322 154.4
[M-H]- 271.99278 151.5
[M+Na-2H]- 293.97473 153.8
[M]+ 272.99951 150.6
[M]- 273.00061 150.6
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

No patent data available for this compound.