CID 45016

Brn 3288727

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]+ 274.00734 151.6
[M+Na]+ 295.98928 161.6
[M-H]- 271.99278 156.0
[M+NH4]+ 291.03388 170.2
[M+K]+ 311.96322 150.2
[M+H-H2O]+ 255.99732 150.5
[M+HCOO]- 317.99826 171.7
[M+CH3COO]- 332.01391 194.2
[M+Na-2H]- 293.97473 156.1
[M]+ 272.99951 170.2
[M]- 273.00061 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.