CID 691000

57039-60-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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

No patent data available for this compound.