CID 52379

73747-62-3

Structural Information

Molecular Formula
C10H6Cl2O5
SMILES
C1=C(C=C(C(=C1Cl)O)Cl)C=C(C(=O)O)C(=O)O
InChI
InChI=1S/C10H6Cl2O5/c11-6-2-4(3-7(12)8(6)13)1-5(9(14)15)10(16)17/h1-3,13H,(H,14,15)(H,16,17)
InChIKey
ZTZIVFMAPLCEJY-UHFFFAOYSA-N
Compound name
2-[(3,5-dichloro-4-hydroxyphenyl)methylidene]propanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.95923 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.96651 151.8
[M+Na]+ 298.94845 163.0
[M+NH4]+ 293.99305 157.1
[M+K]+ 314.92239 159.6
[M-H]- 274.95195 149.7
[M+Na-2H]- 296.93390 154.4
[M]+ 275.95868 152.9
[M]- 275.95978 152.9
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.