CID 65696

Resorantel

Structural Information

Molecular Formula
C13H10BrNO3
SMILES
C1=CC(=C(C(=C1)O)C(=O)NC2=CC=C(C=C2)Br)O
InChI
InChI=1S/C13H10BrNO3/c14-8-4-6-9(7-5-8)15-13(18)12-10(16)2-1-3-11(12)17/h1-7,16-17H,(H,15,18)
InChIKey
IHYNKGRWCDKNEG-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-2,6-dihydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3917
Patents

306.9844 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.99168 159.0
[M+Na]+ 329.97362 169.1
[M-H]- 305.97712 165.9
[M+NH4]+ 325.01822 175.8
[M+K]+ 345.94756 156.8
[M+H-H2O]+ 289.98166 157.6
[M+HCOO]- 351.98260 178.7
[M+CH3COO]- 365.99825 197.6
[M+Na-2H]- 327.95907 164.3
[M]+ 306.98385 175.8
[M]- 306.98495 175.8
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.