CID 61390338

4-{[(3-bromo-2-hydroxyphenyl)methyl]amino}benzoic acid

Structural Information

Molecular Formula
C14H12BrNO3
SMILES
C1=CC(=C(C(=C1)Br)O)CNC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C14H12BrNO3/c15-12-3-1-2-10(13(12)17)8-16-11-6-4-9(5-7-11)14(18)19/h1-7,16-17H,8H2,(H,18,19)
InChIKey
VCQYDLJYRRJXIA-UHFFFAOYSA-N
Compound name
4-[(3-bromo-2-hydroxyphenyl)methylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.00006 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.00734 163.3
[M+Na]+ 343.98928 172.9
[M-H]- 319.99278 170.0
[M+NH4]+ 339.03388 179.4
[M+K]+ 359.96322 160.4
[M+H-H2O]+ 303.99732 161.7
[M+HCOO]- 365.99826 182.7
[M+CH3COO]- 380.01391 201.0
[M+Na-2H]- 341.97473 168.1
[M]+ 320.99951 180.5
[M]- 321.00061 180.5
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.