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

1
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

patents stripe