CID 16785531

4-[2-(4-bromophenyl)acetamido]benzoic acid

Structural Information

Molecular Formula
C15H12BrNO3
SMILES
C1=CC(=CC=C1CC(=O)NC2=CC=C(C=C2)C(=O)O)Br
InChI
InChI=1S/C15H12BrNO3/c16-12-5-1-10(2-6-12)9-14(18)17-13-7-3-11(4-8-13)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)
InChIKey
LWGRUICNIQAXTR-UHFFFAOYSA-N
Compound name
4-[[2-(4-bromophenyl)acetyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.00006 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.00734 166.8
[M+Na]+ 355.98928 175.7
[M-H]- 331.99278 174.4
[M+NH4]+ 351.03388 182.8
[M+K]+ 371.96322 163.7
[M+H-H2O]+ 315.99732 164.9
[M+HCOO]- 377.99826 186.6
[M+CH3COO]- 392.01391 204.4
[M+Na-2H]- 353.97473 171.1
[M]+ 332.99951 184.4
[M]- 333.00061 184.4
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.