CID 768152

4-((5-bromo-2-hydroxy-benzylidene)-amino)-benzoic acid

Structural Information

Molecular Formula
C14H10BrNO3
SMILES
C1=CC(=CC=C1C(=O)O)N=CC2=C(C=CC(=C2)Br)O
InChI
InChI=1S/C14H10BrNO3/c15-11-3-6-13(17)10(7-11)8-16-12-4-1-9(2-5-12)14(18)19/h1-8,17H,(H,18,19)
InChIKey
DPNSNZZTWGHWJB-UHFFFAOYSA-N
Compound name
4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

318.9844 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.99168 161.5
[M+Na]+ 341.97362 172.0
[M-H]- 317.97712 169.6
[M+NH4]+ 337.01822 178.4
[M+K]+ 357.94756 159.7
[M+H-H2O]+ 301.98166 159.8
[M+HCOO]- 363.98260 182.5
[M+CH3COO]- 377.99825 201.9
[M+Na-2H]- 339.95907 166.8
[M]+ 318.98385 179.7
[M]- 318.98495 179.7
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

patents stripe