CID 51060071

2-(2,4-dichlorobenzylidene)succinic acid

Structural Information

Molecular Formula
C11H8Cl2O4
SMILES
C1=CC(=C(C=C1Cl)Cl)/C=C(\CC(=O)O)/C(=O)O
InChI
InChI=1S/C11H8Cl2O4/c12-8-2-1-6(9(13)5-8)3-7(11(16)17)4-10(14)15/h1-3,5H,4H2,(H,14,15)(H,16,17)/b7-3+
InChIKey
RCPKYHSNDFPOOR-XVNBXDOJSA-N
Compound name
(2E)-2-[(2,4-dichlorophenyl)methylidene]butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.97995 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.98723 150.2
[M+Na]+ 296.96917 159.0
[M-H]- 272.97267 151.2
[M+NH4]+ 292.01377 166.5
[M+K]+ 312.94311 153.3
[M+H-H2O]+ 256.97721 147.2
[M+HCOO]- 318.97815 160.5
[M+CH3COO]- 332.99380 190.6
[M+Na-2H]- 294.95462 150.8
[M]+ 273.97940 153.0
[M]- 273.98050 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.