CID 11984456

3-(3-bromo-4-hydroxyphenyl)-2-(hydroxyimino)propanoic acid

Structural Information

Molecular Formula
C9H8BrNO4
SMILES
C1=CC(=C(C=C1C/C(=N\O)/C(=O)O)Br)O
InChI
InChI=1S/C9H8BrNO4/c10-6-3-5(1-2-8(6)12)4-7(11-15)9(13)14/h1-3,12,15H,4H2,(H,13,14)/b11-7+
InChIKey
OTQJUBTXGZWKKA-YRNVUSSQSA-N
Compound name
(2E)-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyiminopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

272.96368 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.97096 149.0
[M+Na]+ 295.95290 149.6
[M+NH4]+ 290.99750 151.3
[M+K]+ 311.92684 152.2
[M-H]- 271.95640 147.3
[M+Na-2H]- 293.93835 149.8
[M]+ 272.96313 147.0
[M]- 272.96423 147.0
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

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