CID 3054069

Zr-32

Structural Information

Molecular Formula
C15H11BrClNO4
SMILES
C1=CC(=CC(=C1)Br)OCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C15H11BrClNO4/c16-9-2-1-3-11(6-9)22-8-14(19)18-13-5-4-10(17)7-12(13)15(20)21/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKey
CFIABSCTBJSAFG-UHFFFAOYSA-N
Compound name
2-[[2-(3-bromophenoxy)acetyl]amino]-5-chlorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.956 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.96328 173.2
[M+Na]+ 405.94522 176.9
[M+NH4]+ 400.98982 176.4
[M+K]+ 421.91916 176.8
[M-H]- 381.94872 174.5
[M+Na-2H]- 403.93067 176.8
[M]+ 382.95545 173.1
[M]- 382.95655 173.1
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.