CID 626647

19244-35-0

Structural Information

Molecular Formula
C10H3Cl4NO4
SMILES
C(C(=O)O)N1C(=O)C2=C(C1=O)C(=C(C(=C2Cl)Cl)Cl)Cl
InChI
InChI=1S/C10H3Cl4NO4/c11-5-3-4(6(12)8(14)7(5)13)10(19)15(9(3)18)1-2(16)17/h1H2,(H,16,17)
InChIKey
FHIZSYJTTDFYKS-UHFFFAOYSA-N
Compound name
2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

340.88162 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.88890 163.0
[M+Na]+ 363.87084 176.1
[M-H]- 339.87434 163.3
[M+NH4]+ 358.91544 179.2
[M+K]+ 379.84478 170.1
[M+H-H2O]+ 323.87888 161.0
[M+HCOO]- 385.87982 163.3
[M+CH3COO]- 399.89547 206.3
[M+Na-2H]- 361.85629 160.9
[M]+ 340.88107 167.5
[M]- 340.88217 167.5
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

patents stripe