CID 66559328

Methyl 3-(3-bromo-4-hydroxyphenyl)-2-(hydroxyimino)-propanoate

Structural Information

Molecular Formula
C10H10BrNO4
SMILES
COC(=O)/C(=N/O)/CC1=CC(=C(C=C1)O)Br
InChI
InChI=1S/C10H10BrNO4/c1-16-10(14)8(12-15)5-6-2-3-9(13)7(11)4-6/h2-4,13,15H,5H2,1H3/b12-8+
InChIKey
AMXHNFGHJPBXSJ-XYOKQWHBSA-N
Compound name
methyl (2E)-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyiminopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.9793 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.98658 152.2
[M+Na]+ 309.96852 162.2
[M-H]- 285.97202 157.2
[M+NH4]+ 305.01312 170.5
[M+K]+ 325.94246 151.6
[M+H-H2O]+ 269.97656 151.0
[M+HCOO]- 331.97750 172.4
[M+CH3COO]- 345.99315 195.6
[M+Na-2H]- 307.95397 156.7
[M]+ 286.97875 171.6
[M]- 286.97985 171.6
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.