CID 686483

37904-05-5

Structural Information

Molecular Formula
C10H7Cl2NO3
SMILES
C1=CC(=C(C(=C1)Cl)NC(=O)/C=C/C(=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)/b5-4+
InChIKey
ZBWTXYMREBJGLL-SNAWJCMRSA-N
Compound name
(E)-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 149.9
[M+Na]+ 281.96952 158.9
[M-H]- 257.97302 152.1
[M+NH4]+ 277.01412 167.2
[M+K]+ 297.94346 153.2
[M+H-H2O]+ 241.97756 146.3
[M+HCOO]- 303.97850 163.5
[M+CH3COO]- 317.99415 191.4
[M+Na-2H]- 279.95497 152.5
[M]+ 258.97975 152.4
[M]- 258.98085 152.4
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.