CID 686482

2',6'-dichloromaleanilic acid

Structural Information

Molecular Formula
C10H7Cl2NO3
SMILES
C1=CC(=C(C(=C1)Cl)NC(=O)C=CC(=O)O)Cl
InChI
InChI=1S/C10H7Cl2NO3/c11-6-2-1-3-7(12)10(6)13-8(14)4-5-9(15)16/h1-5H,(H,13,14)(H,15,16)
InChIKey
ZBWTXYMREBJGLL-UHFFFAOYSA-N
Compound name
4-(2,6-dichloroanilino)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.9803 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.98758 150.9
[M+Na]+ 281.96952 162.9
[M+NH4]+ 277.01412 157.6
[M+K]+ 297.94346 157.1
[M-H]- 257.97302 151.2
[M+Na-2H]- 279.95497 155.7
[M]+ 258.97975 153.0
[M]- 258.98085 153.0
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.