CID 22609

Brn 2396239

Structural Information

Molecular Formula
C15H11Cl2NO4
SMILES
C1=CC(=CC=C1C(=O)NC2=C(C=CC(=C2)Cl)OCC(=O)O)Cl
InChI
InChI=1S/C15H11Cl2NO4/c16-10-3-1-9(2-4-10)15(21)18-12-7-11(17)5-6-13(12)22-8-14(19)20/h1-7H,8H2,(H,18,21)(H,19,20)
InChIKey
AXOCEAYBOGXTBZ-UHFFFAOYSA-N
Compound name
2-[4-chloro-2-[(4-chlorobenzoyl)amino]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.0065 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.01378 169.4
[M+Na]+ 361.99572 178.0
[M-H]- 337.99922 174.8
[M+NH4]+ 357.04032 183.4
[M+K]+ 377.96966 172.4
[M+H-H2O]+ 322.00376 163.9
[M+HCOO]- 384.00470 182.9
[M+CH3COO]- 398.02035 206.8
[M+Na-2H]- 359.98117 171.5
[M]+ 339.00595 174.4
[M]- 339.00705 174.4
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.