CID 3066246

Brn 5622211

Structural Information

Molecular Formula
C16H13Cl2NO4
SMILES
CC(C1=CC(=C(C=C1)NC(=O)C2=C(C=C(C=C2)Cl)Cl)O)C(=O)O
InChI
InChI=1S/C16H13Cl2NO4/c1-8(16(22)23)9-2-5-13(14(20)6-9)19-15(21)11-4-3-10(17)7-12(11)18/h2-8,20H,1H3,(H,19,21)(H,22,23)
InChIKey
GXDLOYKGCALKRZ-UHFFFAOYSA-N
Compound name
2-[4-[(2,4-dichlorobenzoyl)amino]-3-hydroxyphenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.02216 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.029436 172.8
[M+Na]+ 376.011378 181.2
[M-H]- 352.014884 177.2
[M+NH4]+ 371.055983 185.8
[M+K]+ 391.985318 175.3
[M+H-H2O]+ 336.019420 168.0
[M+HCOO]- 398.020361 183.6
[M+CH3COO]- 412.036011 209.8
[M+Na-2H]- 373.996826 172.2
[M]+ 353.02161142 176.3
[M]- 353.02270858 176.3
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.