CID 17404

Metabromsalan

Structural Information

Molecular Formula
C13H9Br2NO2
SMILES
C1=CC=C(C=C1)NC(=O)C2=C(C(=CC(=C2)Br)Br)O
InChI
InChI=1S/C13H9Br2NO2/c14-8-6-10(12(17)11(15)7-8)13(18)16-9-4-2-1-3-5-9/h1-7,17H,(H,16,18)
InChIKey
YALKQBRWLMDVSA-UHFFFAOYSA-N
Compound name
3,5-dibromo-2-hydroxy-N-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

5705
Patents

368.9 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.90728 158.2
[M+Na]+ 391.88922 167.4
[M-H]- 367.89272 166.1
[M+NH4]+ 386.93382 173.9
[M+K]+ 407.86316 151.3
[M+H-H2O]+ 351.89726 164.7
[M+HCOO]- 413.89820 173.6
[M+CH3COO]- 427.91385 212.7
[M+Na-2H]- 389.87467 163.4
[M]+ 368.89945 190.8
[M]- 368.90055 190.8
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.