CID 16786866

2-[4-(4-bromobenzamido)phenyl]acetic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.00006 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.00734 164.1
[M+Na]+ 355.98928 167.1
[M+NH4]+ 351.03388 167.6
[M+K]+ 371.96322 167.4
[M-H]- 331.99278 165.8
[M+Na-2H]- 353.97473 168.3
[M]+ 332.99951 163.7
[M]- 333.00061 163.7
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.