CID 45016

Benzamide, 5-bromo-2-(beta-hydroxypropoxy)-

Structural Information

Molecular Formula
C10H12BrNO3
SMILES
C1=CC(=C(C=C1Br)C(=O)N)OCCCO
InChI
InChI=1S/C10H12BrNO3/c11-7-2-3-9(15-5-1-4-13)8(6-7)10(12)14/h2-3,6,13H,1,4-5H2,(H2,12,14)
InChIKey
NGFSDOXNEGVQEB-UHFFFAOYSA-N
Compound name
5-bromo-2-(3-hydroxypropoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.00006 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.007336 151.6
[M+Na]+ 295.989278 161.6
[M-H]- 271.992784 156.0
[M+NH4]+ 291.033883 170.2
[M+K]+ 311.963218 150.2
[M+H-H2O]+ 255.997320 150.5
[M+HCOO]- 317.998261 171.7
[M+CH3COO]- 332.013911 194.2
[M+Na-2H]- 293.974726 156.1
[M]+ 272.99951142 170.2
[M]- 273.00060858 170.2
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.