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]+ 354.02944 172.8
[M+Na]+ 376.01138 181.2
[M-H]- 352.01488 177.2
[M+NH4]+ 371.05598 185.8
[M+K]+ 391.98532 175.3
[M+H-H2O]+ 336.01942 168.0
[M+HCOO]- 398.02036 183.6
[M+CH3COO]- 412.03601 209.8
[M+Na-2H]- 373.99683 172.2
[M]+ 353.02161 176.3
[M]- 353.02271 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.