CID 101998321

Schembl23691079

Structural Information

Molecular Formula
C16H13Cl2NO5
SMILES
C1=CC(=C(C(=C1)Cl)NC2=C(C=C(C=C2)O)CC(=O)OCC(=O)O)Cl
InChI
InChI=1S/C16H13Cl2NO5/c17-11-2-1-3-12(18)16(11)19-13-5-4-10(20)6-9(13)7-15(23)24-8-14(21)22/h1-6,19-20H,7-8H2,(H,21,22)
InChIKey
IUSFDHLZHGPYRJ-UHFFFAOYSA-N
Compound name
2-[2-[2-(2,6-dichloroanilino)-5-hydroxyphenyl]acetyl]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

369.0171 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.02438 175.7
[M+Na]+ 392.00632 184.1
[M-H]- 368.00982 179.9
[M+NH4]+ 387.05092 188.0
[M+K]+ 407.98026 178.4
[M+H-H2O]+ 352.01436 170.3
[M+HCOO]- 414.01530 187.6
[M+CH3COO]- 428.03095 211.0
[M+Na-2H]- 389.99177 176.4
[M]+ 369.01655 181.0
[M]- 369.01765 181.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe