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 147.1
[M+Na]+ 298.94845 156.6
[M-H]- 274.95195 147.3
[M+NH4]+ 293.99305 162.9
[M+K]+ 314.92239 151.2
[M+H-H2O]+ 258.95649 144.8
[M+HCOO]- 320.95743 156.5
[M+CH3COO]- 334.97308 188.9
[M+Na-2H]- 296.93390 147.3
[M]+ 275.95868 149.6
[M]- 275.95978 149.6
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.