CID 135627846

143361-71-1

Structural Information

Molecular Formula
C9H9BrN2O2
SMILES
CC(=O)N/N=C/C1=C(C=CC(=C1)Br)O
InChI
InChI=1S/C9H9BrN2O2/c1-6(13)12-11-5-7-4-8(10)2-3-9(7)14/h2-5,14H,1H3,(H,12,13)/b11-5+
InChIKey
YTJMMCWCOHWNLC-VZUCSPMQSA-N
Compound name
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.98474 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.99202 145.3
[M+Na]+ 278.97396 155.8
[M-H]- 254.97746 151.6
[M+NH4]+ 274.01856 165.3
[M+K]+ 294.94790 144.5
[M+H-H2O]+ 238.98200 143.7
[M+HCOO]- 300.98294 168.7
[M+CH3COO]- 314.99859 195.0
[M+Na-2H]- 276.95941 152.1
[M]+ 255.98419 163.3
[M]- 255.98529 163.3
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

No patent data available for this compound.