CID 3039036

Brn 2999285

Structural Information

Molecular Formula
C15H12ClNO4
SMILES
C1=CC=C(C(=C1)C(=O)NC(C(=O)C2=CC=C(C=C2)Cl)O)O
InChI
InChI=1S/C15H12ClNO4/c16-10-7-5-9(6-8-10)13(19)15(21)17-14(20)11-3-1-2-4-12(11)18/h1-8,15,18,21H,(H,17,20)
InChIKey
QDPFOUHHWQQQIX-UHFFFAOYSA-N
Compound name
N-[2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.04547 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.052746 164.7
[M+Na]+ 328.034688 171.2
[M-H]- 304.038194 169.0
[M+NH4]+ 323.079293 178.4
[M+K]+ 344.008628 166.5
[M+H-H2O]+ 288.042730 158.5
[M+HCOO]- 350.043671 180.6
[M+CH3COO]- 364.059321 200.0
[M+Na-2H]- 326.020136 166.4
[M]+ 305.04492142 165.4
[M]- 305.04601858 165.4
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.