CID 4371484

145592-20-7

Structural Information

Molecular Formula
C10H9Cl2NO4
SMILES
COC(C(=O)NC1=CC(=CC(=C1)Cl)Cl)C(=O)O
InChI
InChI=1S/C10H9Cl2NO4/c1-17-8(10(15)16)9(14)13-7-3-5(11)2-6(12)4-7/h2-4,8H,1H3,(H,13,14)(H,15,16)
InChIKey
XXQCWXBYAJLHJW-UHFFFAOYSA-N
Compound name
3-(3,5-dichloroanilino)-2-methoxy-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

276.99088 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.99816 152.0
[M+Na]+ 299.98010 160.3
[M-H]- 275.98360 154.3
[M+NH4]+ 295.02470 168.6
[M+K]+ 315.95404 156.4
[M+H-H2O]+ 259.98814 148.3
[M+HCOO]- 321.98908 164.8
[M+CH3COO]- 336.00473 195.9
[M+Na-2H]- 297.96555 153.7
[M]+ 276.99033 156.2
[M]- 276.99143 156.2
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

patents stripe