CID 115174

Ndhsa

Structural Information

Molecular Formula
C10H9Cl2NO4
SMILES
C1=C(C=C(C=C1Cl)Cl)NC(=O)CC(C(=O)O)O
InChI
InChI=1S/C10H9Cl2NO4/c11-5-1-6(12)3-7(2-5)13-9(15)4-8(14)10(16)17/h1-3,8,14H,4H2,(H,13,15)(H,16,17)
InChIKey
XBHKNWDHVCOOIV-UHFFFAOYSA-N
Compound name
4-(3,5-dichloroanilino)-2-hydroxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

0
Patents

276.99088 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.99816 152.2
[M+Na]+ 299.98010 160.1
[M-H]- 275.98360 153.2
[M+NH4]+ 295.02470 168.1
[M+K]+ 315.95404 155.4
[M+H-H2O]+ 259.98814 148.9
[M+HCOO]- 321.98908 163.5
[M+CH3COO]- 336.00473 193.6
[M+Na-2H]- 297.96555 153.4
[M]+ 276.99033 154.6
[M]- 276.99143 154.6
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

No patent data available for this compound.