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 150.9
[M+Na]+ 295.98928 161.0
[M-H]- 271.99278 155.8
[M+NH4]+ 291.03388 169.9
[M+K]+ 311.96322 149.9
[M+H-H2O]+ 255.99732 149.8
[M+HCOO]- 317.99826 171.7
[M+CH3COO]- 332.01391 194.1
[M+Na-2H]- 293.97473 156.5
[M]+ 272.99951 170.3
[M]- 273.00061 170.3
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

No patent data available for this compound.